
 CHEMBL3808563

 47 51  0  0  0  0  0  0  0  0999 V2000
    2.8148   -1.0251    2.0418 C   0  0  0  0  0
    1.8379   -1.8634    1.3030 C   0  0  0  0  0
    0.5932   -2.0778    1.6773 N   0  0  0  0  0
    0.0483   -2.8951    0.7216 C   0  0  0  0  0
   -1.2470   -3.4302    0.6410 C   0  0  0  0  0
   -1.5718   -4.2524   -0.4437 C   0  0  0  0  0
   -0.6303   -4.5274   -1.4349 C   0  0  0  0  0
    0.6624   -3.9923   -1.3777 C   0  0  0  0  0
    0.9734   -3.1837   -0.2754 C   0  0  0  0  0
    2.1171   -2.5233    0.1234 N   0  0  0  0  0
    3.3675   -2.4649   -0.6205 C   0  0  0  0  0
    4.3760   -3.4911   -0.1621 C   0  0  0  0  0
    5.6331   -3.0945    0.3148 C   0  0  0  0  0
    6.6113   -4.0353    0.7117 C   0  0  0  0  0
    6.3427   -5.4045    0.6057 C   0  0  0  0  0
    5.0781   -5.7924    0.1275 C   0  0  0  0  0
    4.1117   -4.8579   -0.2499 C   0  0  0  0  0
    7.2358   -6.4307    0.9569 N   0  0  0  0  0
    8.4112   -6.5066    1.7266 C   0  0  0  0  0
    9.0957   -7.7411    1.7197 C   0  0  0  0  0
   10.2610   -7.9446    2.4600 C   0  0  0  0  0
   10.7744   -6.9096    3.2250 C   0  0  0  0  0
   10.1276   -5.6759    3.2316 C   0  0  0  0  0
    8.9579   -5.4538    2.4730 C   0  0  0  0  0
    8.3201   -4.0912    2.5558 C   0  0  0  0  0
    7.9435   -3.5231    1.1929 C   0  0  0  0  0
    3.1651   -0.1933    1.4222 H   0  0  0  0  0
    3.6766   -1.6186    2.3622 H   0  0  0  0  0
    2.3500   -0.5983    2.9378 H   0  0  0  0  0
   -1.9730   -3.2065    1.4143 H   0  0  0  0  0
   -2.5700   -4.6785   -0.5113 H   0  0  0  0  0
   -0.9044   -5.1726   -2.2688 H   0  0  0  0  0
    1.3859   -4.2139   -2.1544 H   0  0  0  0  0
    3.7605   -1.4468   -0.5235 H   0  0  0  0  0
    3.1478   -2.6096   -1.6841 H   0  0  0  0  0
    5.8668   -2.0327    0.3791 H   0  0  0  0  0
    4.8252   -6.8477    0.0475 H   0  0  0  0  0
    3.1546   -5.2236   -0.6117 H   0  0  0  0  0
    6.9142   -7.3442    0.6570 H   0  0  0  0  0
    8.7143   -8.5724    1.1306 H   0  0  0  0  0
   10.7578   -8.9106    2.4400 H   0  0  0  0  0
   11.6747   -7.0578    3.8146 H   0  0  0  0  0
   10.5450   -4.8753    3.8399 H   0  0  0  0  0
    7.4566   -4.1362    3.2318 H   0  0  0  0  0
    9.0348   -3.3924    3.0110 H   0  0  0  0  0
    7.8947   -2.4309    1.2906 H   0  0  0  0  0
    8.7102   -3.7302    0.4358 H   0  0  0  0  0
  1  2  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  2 10  1  0  0  0
  2  3  2  0  0  0
  3  4  1  0  0  0
  4  9  1  0  0  0
  4  5  2  0  0  0
  5  6  1  0  0  0
  5 30  1  0  0  0
  6  7  2  0  0  0
  6 31  1  0  0  0
  7  8  1  0  0  0
  7 32  1  0  0  0
  8  9  2  0  0  0
  8 33  1  0  0  0
  9 10  1  0  0  0
 10 11  1  0  0  0
 11 12  1  0  0  0
 11 34  1  0  0  0
 11 35  1  0  0  0
 12 17  1  0  0  0
 12 13  2  0  0  0
 13 14  1  0  0  0
 13 36  1  0  0  0
 14 26  1  0  0  0
 14 15  2  0  0  0
 15 18  1  0  0  0
 15 16  1  0  0  0
 16 17  2  0  0  0
 16 37  1  0  0  0
 17 38  1  0  0  0
 18 19  1  0  0  0
 18 39  1  0  0  0
 19 24  1  0  0  0
 19 20  2  0  0  0
 20 21  1  0  0  0
 20 40  1  0  0  0
 21 22  2  0  0  0
 21 41  1  0  0  0
 22 23  1  0  0  0
 22 42  1  0  0  0
 23 24  2  0  0  0
 23 43  1  0  0  0
 24 25  1  0  0  0
 25 26  1  0  0  0
 25 44  1  0  0  0
 25 45  1  0  0  0
 26 46  1  0  0  0
 26 47  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3808563

>  <PubChem CID>
127043384

>  <Formula>
C23H21N3

>  <Molecular Weight>
339.442000

>  <IUPAC Name>
3-[(2-methylbenzimidazol-1-yl)methyl]-6,11-dihydro-5H-benzo[b][1]benzazepine

>  <XlogP>
5.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CC1=NC2=CC=CC=C2N1CC3=CC4=C(C=C3)NC5=CC=CC=C5CC4

>  <Isomeric SMILES>
CC1=NC2=CC=CC=C2N1CC3=CC4=C(C=C3)NC5=CC=CC=C5CC4

>  <InChI Std. ID>
InChI=1S/C23H21N3/c1-16-24-22-8-4-5-9-23(22)26(16)15-17-10-13-21-19(14-17)12-11-18-6-2-3-7-20(18)25-21/h2-10,13-14,25H,11-12,15H2,1H3

>  <InChI Key>
UTKDQJRFSBBBPX-UHFFFAOYSA-N

