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1H-Benzimidazol-5-ylmethanol
1H-Benzimidazol-5-ylmethanol ID: API-28654
CAS:106429-29-2
Supplier:APIchem

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SMILES:OCc1cc2[nH]cnc2cc1	ChemMol.com
FORMULA: C8H8N2O
MASS: 148.1619
EXACT MASS: 148.0636629
INTERATOMIC DISTANCES

              O   1      N   2      N   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   O   1    0.0000 
   N   2    4.4209     0.0000 
   N   3    4.5994     1.6095     0.0000 
   C   4    3.4641     0.9941     1.6118     0.0000 
   C   5    3.6055     1.6117     0.9942     1.0000     0.0000 
   C   6    1.7321     2.6956     2.9792     1.7320     2.0000     0.0000 
   C   7    2.6458     1.8228     2.5577     1.0000     1.7320     1.0000 
   C   8    3.0000     2.5576     1.8228     1.7320     1.0000     1.7320 
   C   9    2.0000     2.9792     2.6956     2.0000     1.7320     1.0000 
   C  10    1.0001     3.5497     3.9774     2.6457     2.9999     1.0000 
   C  11    5.0190     0.9940     0.9941     1.6095     1.6095     3.3000 
   H  12    2.8292     1.9872     3.0272     1.4158     2.2901     1.4158 
   H  13    3.3533     3.0271     1.9872     2.2901     1.4158     2.2901 
   H  14    1.7732     3.5980     3.2153     2.6200     2.2901     1.4158 
   H  15    4.6890     0.6200     2.2072     1.4479     2.2101     3.0069 
   H  16    1.5968     3.2164     3.8850     2.4059     2.9560     1.0812 
   H  17    1.0812     3.9995     4.5545     3.1512     3.5888     1.5968 
   H  18    5.6362     1.4478     1.4479     2.2073     2.2073     3.9140 
   H  19    0.6200     4.9473     5.2042     4.0130     4.2100     2.2901 

              C   7      C   8      C   9      C  10      C  11      H  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    2.0000     0.0000 
   C   9    1.7320     1.0000     0.0000 
   C  10    1.7320     2.6457     1.7320     0.0000 
   C  11    2.5962     2.5962     3.3000     4.2473     0.0000 
   H  12    0.6200     2.6200     2.2901     1.8396     2.8922     0.0000 
   H  13    2.6200     0.6200     1.4158     3.1407     2.8922     3.2400 
   H  14    2.2901     1.4158     0.6201     1.8397     3.8843     2.8059 
   H  15    2.0432     3.1226     3.4394     3.7576     1.4478     2.0176 
   H  16    1.4155     2.8113     2.0295     0.6199     4.0105     1.3414 
   H  17    2.1829     3.2657     2.3451     0.6200     4.7607     2.1355 
   H  18    3.1774     3.1774     3.9140     4.8521     0.6200     3.4235 
   H  19    3.1408     3.6200     2.6200     1.4158     5.5899     3.2380 

              H  13      H  14      H  15      H  16      H  17      H  18
              ------------------------------------------------------------------
   H  13    0.0000 
   H  14    1.6200     0.0000 
   H  15    3.6199     4.0585     0.0000 
   H  16    3.3700     2.2860     3.3394     0.0000 
   H  17    3.7574     2.3980     4.1363     0.7971     0.0000 
   H  18    3.4235     4.4925     1.7220     4.5927     5.3537     0.0000 
   H  19    3.9665     2.3715     5.1730     1.9203     1.2045     6.2040 

              H  19
              -----------
   H  19    0.0000 



ATOMIC CHARGES
   O   1   -0.3904154983
   N   2   -0.3443843512
   N   3   -0.2359396161
   C   4    0.0663365936
   C   5    0.0887880631
   C   6   -0.0201179366
   C   7   -0.0309029237
   C   8   -0.0339201868
   C   9   -0.0542621485
   C  10    0.0692969106
   C  11    0.0944418290
   H  12    0.0642152141
   H  13    0.0639460957
   H  14    0.0621670246
   H  15    0.1667996893
   H  16    0.0607110066
   H  17    0.0607110066
   H  18    0.1026822078
   H  19    0.2098470202


BOND ANGLES
  10    1   19   C3   O3   HO    120.000
   4    2   11  Car  Nar  Car    108.103
   4    2   15  Car  Nar   HC    125.947
  11    2   15  Car  Nar   HC    125.950
   5    3   11  Car  Nar  Car    108.094
   2    4    5  Nar  Car  Car    107.848
   2    4    7  Nar  Car  Car    132.151
   5    4    7  Car  Car  Car    120.001
   3    5    4  Nar  Car  Car    107.854
   3    5    8  Nar  Car  Car    132.146
   4    5    8  Car  Car  Car    120.001
   7    6    9  Car  Car  Car    120.001
   7    6   10  Car  Car   C3    119.999
   9    6   10  Car  Car   C3    120.001
   4    7    6  Car  Car  Car    119.999
   4    7   12  Car  Car   HC    120.001
   6    7   12  Car  Car   HC    120.001
   5    8    9  Car  Car  Car    119.999
   5    8   13  Car  Car   HC    120.001
   9    8   13  Car  Car   HC    120.001
   6    9    8  Car  Car  Car    120.001
   6    9   14  Car  Car   HC    119.997
   8    9   14  Car  Car   HC    120.002
   1   10    6   O3   C3  Car    120.001
   1   10   16   O3   C3   HC    159.999
   1   10   17   O3   C3   HC     79.990
   6   10   16  Car   C3   HC     80.000
   6   10   17  Car   C3   HC    160.009
  16   10   17   HC   C3   HC     80.009
   2   11    3  Nar  Car  Nar    108.101
   2   11   18  Nar  Car   HC    125.951
   3   11   18  Nar  Car   HC    125.948


TORSION ANGLES
  19    1   10    6    179.974
  19    1   10   16      0.026
  19    1   10   17      0.026
  11    2    4    5      0.026
  11    2    4    7    179.974
  15    2    4    5    179.974
  15    2    4    7      0.026
   4    2   11    3      0.026
   4    2   11   18    179.974
  15    2   11    3    179.974
  15    2   11   18      0.026
  11    3    5    4      0.026
  11    3    5    8    179.974
   5    3   11    2      0.026
   5    3   11   18    179.974
   2    4    5    3      0.026
   2    4    5    8    179.974
   7    4    5    3    179.974
   7    4    5    8      0.026
   2    4    7    6    179.974
   2    4    7   12      0.026
   5    4    7    6      0.026
   5    4    7   12    179.974
   3    5    8    9    179.974
   3    5    8   13      0.026
   4    5    8    9      0.026
   4    5    8   13    179.974
   9    6    7    4      0.026
   9    6    7   12    179.974
  10    6    7    4    179.974
  10    6    7   12      0.026
   7    6    9    8      0.026
   7    6    9   14    179.974
  10    6    9    8    179.974
  10    6    9   14      0.026
   7    6   10    1    179.974
   7    6   10   16      0.026
   7    6   10   17      0.026
   9    6   10    1      0.026
   9    6   10   16    179.974
   9    6   10   17    179.974
   5    8    9    6      0.026
   5    8    9   14    179.974
  13    8    9    6    179.974
  13    8    9   14      0.026