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1-methylbenzimidazole
1-methylbenzimidazole ID: AN-49580
CAS:1632-83-3
Supplier:AN PharmaTech Co Ltd

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SMILES:n1(c2c(nc1)cccc2)C	95890
FORMULA: C8H8N2
MASS: 132.1625
EXACT MASS: 132.0687483
INTERATOMIC DISTANCES

              N   1      N   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   N   2    1.6095     0.0000 
   C   3    0.9941     1.6118     0.0000 
   C   4    1.6117     0.9942     1.0000     0.0000 
   C   5    1.8228     2.5577     1.0000     1.7320     0.0000 
   C   6    0.9940     0.9941     1.6095     1.6095     2.5962     0.0000 
   C   7    2.5576     1.8228     1.7320     1.0000     2.0000     2.5962 
   C   8    1.0000     2.5788     1.7763     2.5818     2.2532     1.7763 
   C   9    2.6956     2.9792     1.7320     2.0000     1.0000     3.3000 
   C  10    2.9792     2.6956     2.0000     1.7320     1.7320     3.3000 
   H  11    1.9872     3.0272     1.4158     2.2901     0.6200     2.8922 
   H  12    1.4478     1.4479     2.2073     2.2073     3.1774     0.6200 
   H  13    3.0271     1.9872     2.2901     1.4158     2.6200     2.8922 
   H  14    1.1766     2.5327     2.1302     2.7682     2.7700     1.5943 
   H  15    1.6200     3.1893     2.3460     3.1926     2.6776     2.3460 
   H  16    1.1766     2.7667     1.5943     2.5372     1.8028     2.1301 
   H  17    3.2152     3.5979     2.2900     2.6199     1.4157     3.8842 
   H  18    3.5979     3.2152     2.6199     2.2900     2.2900     3.8842 

              C   7      C   8      C   9      C  10      H  11      H  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    3.4782     0.0000 
   C   9    1.7320     3.2418     0.0000 
   C  10    1.0000     3.7443     1.0000     0.0000 
   H  11    2.6200     2.1272     1.4158     2.2901     0.0000 
   H  12    3.1774     1.9693     3.9140     3.9140     3.4235     0.0000 
   H  13    0.6200     3.9873     2.2901     1.4158     3.2400     3.4235 
   H  14    3.7314     0.6201     3.7327     4.1302     2.7129     1.5918 
   H  15    4.0679     0.6201     3.6776     4.2678     2.4262     2.4470 
   H  16    3.3229     0.6200     2.8025     3.4278     1.5682     2.4477 
   H  17    2.2900     3.6503     0.6200     1.4158     1.6199     4.4924 
   H  18    1.4157     4.3602     1.4158     0.6200     2.8059     4.4924 

              H  13      H  14      H  15      H  16      H  17      H  18
              ------------------------------------------------------------------
   H  13    0.0000 
   H  14    4.1816     0.0000 
   H  15    4.5913     0.8769     0.0000 
   H  16    3.8834     1.2400     0.8768     0.0000 
   H  17    2.8059     4.1835     4.0226     3.1492     0.0000 
   H  18    1.6199     4.7502     4.8763     4.0285     1.6200     0.0000 




ATOMIC CHARGES
   N   1   -0.3331991190
   N   2   -0.2357408295
   C   3    0.0683633321
   C   4    0.0889625680
   C   5   -0.0360713800
   C   6    0.0967967528
   C   7   -0.0342424349
   C   8    0.0132744162
   C   9   -0.0596834444
   C  10   -0.0596237367
   H  11    0.0638758905
   H  12    0.1028812630
   H  13    0.0639369038
   H  14    0.0456075571
   H  15    0.0456075571
   H  16    0.0456075571
   H  17    0.0618231967
   H  18    0.0618239502


BOND ANGLES
   3    1    6  Car  Nar  Car    108.103
   3    1    8  Car  Nar   C3    125.944
   6    1    8  Car  Nar   C3    125.953
   4    2    6  Car  Nar  Car    108.094
   1    3    4  Nar  Car  Car    107.848
   1    3    5  Nar  Car  Car    132.151
   4    3    5  Car  Car  Car    120.001
   2    4    3  Nar  Car  Car    107.854
   2    4    7  Nar  Car  Car    132.146
   3    4    7  Car  Car  Car    120.001
   3    5    9  Car  Car  Car    119.999
   3    5   11  Car  Car   HC    120.001
   9    5   11  Car  Car   HC    120.001
   1    6    2  Nar  Car  Nar    108.101
   1    6   12  Nar  Car   HC    125.951
   2    6   12  Nar  Car   HC    125.948
   4    7   10  Car  Car  Car    119.999
   4    7   13  Car  Car   HC    120.001
  10    7   13  Car  Car   HC    120.001
   1    8   14  Nar   C3   HC     90.000
   1    8   15  Nar   C3   HC    179.974
   1    8   16  Nar   C3   HC     90.003
  14    8   15   HC   C3   HC     90.000
  14    8   16   HC   C3   HC    179.974
  15    8   16   HC   C3   HC     89.997
   5    9   10  Car  Car  Car    120.001
   5    9   17  Car  Car   HC    119.998
  10    9   17  Car  Car   HC    120.002
   7   10    9  Car  Car  Car    120.001
   7   10   18  Car  Car   HC    119.998
   9   10   18  Car  Car   HC    120.002


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