
 CHEMBL3809249

 50 54  0  0  0  0  0  0  0  0999 V2000
    4.2584   -0.8018    2.1751 C   0  0  0  0  0
    4.7517    0.6345    2.0901 C   0  0  0  0  0
    4.1356    1.3481    0.9330 C   0  0  0  0  0
    2.9703    1.9637    0.9836 N   0  0  0  0  0
    2.7221    2.4084   -0.2861 C   0  0  0  0  0
    1.6042    3.0946   -0.7811 C   0  0  0  0  0
    1.5581    3.4174   -2.1419 C   0  0  0  0  0
    2.6090    3.0678   -2.9908 C   0  0  0  0  0
    3.7386    2.3923   -2.5106 C   0  0  0  0  0
    3.7650    2.0753   -1.1461 C   0  0  0  0  0
    4.6772    1.4278   -0.3363 N   0  0  0  0  0
    5.9306    0.8351   -0.7855 C   0  0  0  0  0
    7.1398    1.6509   -0.3963 C   0  0  0  0  0
    7.3306    2.9544   -0.8730 C   0  0  0  0  0
    8.4579    3.7217   -0.5049 C   0  0  0  0  0
    9.4188    3.1821    0.3573 C   0  0  0  0  0
    9.2354    1.8620    0.8047 C   0  0  0  0  0
    8.1229    1.1036    0.4318 C   0  0  0  0  0
   10.5436    3.8788    0.8317 N   0  0  0  0  0
   10.8594    5.2420    0.9980 C   0  0  0  0  0
   12.1165    5.5313    1.5744 C   0  0  0  0  0
   12.5358    6.8386    1.8251 C   0  0  0  0  0
   11.7060    7.8973    1.4942 C   0  0  0  0  0
   10.4726    7.6399    0.9017 C   0  0  0  0  0
   10.0423    6.3219    0.6278 C   0  0  0  0  0
    8.6808    6.1659   -0.0028 C   0  0  0  0  0
    8.6194    5.0999   -1.0868 C   0  0  0  0  0
    4.7034   -1.3065    3.0387 H   0  0  0  0  0
    4.5230   -1.3690    1.2763 H   0  0  0  0  0
    3.1689   -0.8396    2.2842 H   0  0  0  0  0
    5.8421    0.6495    2.0397 H   0  0  0  0  0
    4.4798    1.1596    3.0136 H   0  0  0  0  0
    0.7910    3.3549   -0.1136 H   0  0  0  0  0
    0.6914    3.9408   -2.5378 H   0  0  0  0  0
    2.5484    3.3235   -4.0465 H   0  0  0  0  0
    4.5479    2.1275   -3.1818 H   0  0  0  0  0
    5.9004    0.7190   -1.8741 H   0  0  0  0  0
    5.9769   -0.1767   -0.3675 H   0  0  0  0  0
    6.5882    3.3925   -1.5389 H   0  0  0  0  0
    9.9632    1.4085    1.4744 H   0  0  0  0  0
    8.0299    0.0894    0.8119 H   0  0  0  0  0
   11.1917    3.2751    1.3248 H   0  0  0  0  0
   12.7875    4.7213    1.8516 H   0  0  0  0  0
   13.5030    7.0231    2.2839 H   0  0  0  0  0
   12.0138    8.9197    1.6940 H   0  0  0  0  0
    9.8339    8.4851    0.6484 H   0  0  0  0  0
    7.9399    5.9839    0.7859 H   0  0  0  0  0
    8.4057    7.1165   -0.4783 H   0  0  0  0  0
    7.7619    5.3223   -1.7351 H   0  0  0  0  0
    9.5043    5.1234   -1.7358 H   0  0  0  0  0
  1  2  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  2  3  1  0  0  0
  2 31  1  0  0  0
  2 32  1  0  0  0
  3 11  1  0  0  0
  3  4  2  0  0  0
  4  5  1  0  0  0
  5 10  1  0  0  0
  5  6  2  0  0  0
  6  7  1  0  0  0
  6 33  1  0  0  0
  7  8  2  0  0  0
  7 34  1  0  0  0
  8  9  1  0  0  0
  8 35  1  0  0  0
  9 10  2  0  0  0
  9 36  1  0  0  0
 10 11  1  0  0  0
 11 12  1  0  0  0
 12 13  1  0  0  0
 12 37  1  0  0  0
 12 38  1  0  0  0
 13 18  1  0  0  0
 13 14  2  0  0  0
 14 15  1  0  0  0
 14 39  1  0  0  0
 15 27  1  0  0  0
 15 16  2  0  0  0
 16 19  1  0  0  0
 16 17  1  0  0  0
 17 18  2  0  0  0
 17 40  1  0  0  0
 18 41  1  0  0  0
 19 20  1  0  0  0
 19 42  1  0  0  0
 20 25  1  0  0  0
 20 21  2  0  0  0
 21 22  1  0  0  0
 21 43  1  0  0  0
 22 23  2  0  0  0
 22 44  1  0  0  0
 23 24  1  0  0  0
 23 45  1  0  0  0
 24 25  2  0  0  0
 24 46  1  0  0  0
 25 26  1  0  0  0
 26 27  1  0  0  0
 26 47  1  0  0  0
 26 48  1  0  0  0
 27 49  1  0  0  0
 27 50  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3809249

>  <PubChem CID>
127043383

>  <Formula>
C24H23N3

>  <Molecular Weight>
353.469000

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

>  <XlogP>
5.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CCC1=NC2=CC=CC=C2N1CC3=CC4=C(C=C3)NC5=CC=CC=C5CC4

>  <Isomeric SMILES>
CCC1=NC2=CC=CC=C2N1CC3=CC4=C(C=C3)NC5=CC=CC=C5CC4

>  <InChI Std. ID>
InChI=1S/C24H23N3/c1-2-24-26-22-9-5-6-10-23(22)27(24)16-17-11-14-21-19(15-17)13-12-18-7-3-4-8-20(18)25-21/h3-11,14-15,25H,2,12-13,16H2,1H3

>  <InChI Key>
IXJKKMJYSLPUHD-UHFFFAOYSA-N

