Sign In Join Free

Products Information

4-methyl-4-p-tolyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine
4-methyl-4-p-tolyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine
ID: BP-11264
Supplier:BroadPharm

Get a quote


SMILES:c12C(NCCc1nc[nH]2)(c1ccc(cc1)C)C	
FORMULA: C14H17N3
MASS: 227.3049
EXACT MASS: 227.1422476
INTERATOMIC DISTANCES

              C   1      C   2      C   3      N   4      N   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    1.2666     0.0000 
   C   3    1.2223     2.1591     0.0000 
   N   4    1.9959     3.1993     1.2472     0.0000 
   N   5    1.2507     2.2745     2.0309     2.0406     0.0000 
   C   6    2.0080     3.2537     2.0219     1.2528     1.2683     0.0000 
   N   7    2.1762     1.2523     2.5011     3.7310     3.3752     4.1396 
   C   8    1.6298     1.2500     2.8404     3.5335     1.8754     3.1164 
   C   9    2.8732     2.1676     4.0668     4.7852     3.0202     4.2872 
   C  10    1.6795     2.1634     2.7799     3.0112     0.9892     2.2160 
   C  11    2.1461     2.4962     1.2495     2.2778     3.2114     3.2539 
   C  12    2.4959     2.1660     2.1644     3.3710     3.7352     4.1364 
   C  13    3.7410     3.3088     4.9631     5.4622     3.4861     4.7109 
   C  14    2.9258     3.3061     3.9776     4.0006     2.0024     2.9535 
   C  15    2.4833     1.2515     3.3980     4.4476     3.2889     4.4040 
   C  16    3.7597     3.7500     4.9250     5.1343     3.0951     4.1637 
   C  17    4.9560     5.0000     6.0858     6.1633     4.1591     5.0830 

              N   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   N   7    0.0000 
   C   8    2.4634     0.0000 
   C   9    3.1194     1.2543     0.0000 
   C  10    3.4044     1.2471     2.1667     0.0000 
   C  11    2.1669     3.5461     4.6465     3.8237     0.0000 
   C  12    1.2537     3.4040     4.2668     4.0697     1.2489     0.0000 
   C  13    4.3495     2.1676     1.2500     2.5014     5.7115     5.4579 
   C  14    4.5583     2.1634     2.5014     1.2500     5.0648     5.3052 
   C  15    1.6016     1.6117     1.6689     2.8481     3.5450     2.8442 
   C  16    4.9440     2.5000     2.1676     2.1634     5.8854     5.8952 
   C  17    6.1902     3.7500     3.3088     3.3061     7.0962     7.1432 

              C  13      C  14      C  15      C  16      C  17
              -------------------------------------------------------
   C  13    0.0000 
   C  14    2.1667     0.0000 
   C  15    2.9161     3.7189     0.0000 
   C  16    1.2543     1.2471     3.7463     0.0000 
   C  17    2.1676     2.1634     4.9438     1.2500     0.0000 



ATOMIC CHARGES
   C   1    0.0922315716
   C   2    0.1142283506
   C   3    0.0772930898
   N   4   -0.2271020208
   N   5   -0.2255398702
   C   6    0.1983373285
   N   7   -0.2106143597
   C   8   -0.0028028447
   C   9   -0.0029428985
   C  10   -0.0029428985
   C  11    0.0659416358
   C  12    0.0957267690
   C  13   -0.0045250250
   C  14   -0.0045250250
   C  15    0.0280777274
   C  16   -0.0218679453
   C  17    0.0310264153


BOND ANGLES
   2    1    3   C3  Car  Car    120.328
   2    1    5   C3  Car  Nar    129.260
   3    1    5  Car  Car  Nar    110.412
   1    2    7  Car   C3   N3    119.520
   1    2    8  Car   C3  Car     80.722
   1    2   15  Car   C3   C3    160.946
   7    2    8   N3   C3  Car    159.758
   7    2   15   N3   C3   C3     79.534
   8    2   15  Car   C3   C3     80.224
   1    3    4  Car  Car  Nar    107.839
   1    3   11  Car  Car   C3    120.509
   4    3   11  Nar  Car   C3    131.652
   3    4    6  Car  Nar  Car    107.954
   1    5    6  Car  Nar  Car    105.718
   4    6    5  Nar  Car  Nar    108.077
   2    7   12   C3   N3   C3    119.611
   2    8    9   C3  Car  Car    119.887
   2    8   10   C3  Car  Car    120.077
   9    8   10  Car  Car  Car    120.037
   8    9   13  Car  Car  Car    119.887
   8   10   14  Car  Car  Car    120.077
   3   11   12  Car   C3   C3    120.069
   7   12   11   N3   C3   C3    119.963
   9   13   16  Car  Car  Car    119.887
  10   14   16  Car  Car  Car    120.077
  14   16   17  Car  Car   C3    120.077
  13   16   14  Car  Car  Car    120.037
  13   16   17  Car  Car   C3    119.887


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


CHIRAL ATOMS
  17   16   13    9    179.974