
 CHEMBL108289

 50 53  0  0  0  0  0  0  0  0999 V2000
    1.0154    3.1164    2.1420 C   0  0  0  0  0
    2.4383    3.0634    2.2502 O   0  0  0  0  0
    2.9385    1.8060    2.3405 C   0  0  0  0  0
    2.2881    0.7717    2.3148 O   0  0  0  0  0
    4.4121    1.8454    2.5268 C   0  0  0  0  0
    5.1707    2.9882    2.2475 C   0  0  0  0  0
    6.5559    2.9749    2.4422 C   0  0  0  0  0
    7.1965    1.8249    2.9234 C   0  0  0  0  0
    6.4352    0.6819    3.1949 C   0  0  0  0  0
    5.0523    0.6901    2.9946 C   0  0  0  0  0
    8.7005    1.8036    3.0877 C   0  0  0  0  0
    9.3773    1.3456    1.7951 C   0  0  0  0  0
   10.8689    1.3649    1.9008 C   0  0  0  0  0
   11.5794    2.4587    2.1004 N   0  0  0  0  0
   12.8928    2.0840    1.9973 C   0  0  0  0  0
   14.0546    2.8626    2.1069 C   0  0  0  0  0
   15.2997    2.2494    1.9222 C   0  0  0  0  0
   15.3863    0.8893    1.6265 C   0  0  0  0  0
   14.2384    0.0967    1.5201 C   0  0  0  0  0
   13.0017    0.7248    1.7263 C   0  0  0  0  0
   11.6976    0.2703    1.7445 N   0  0  0  0  0
   11.3000   -1.1209    1.5850 C   0  0  0  0  0
   11.1309   -1.8231    2.9145 C   0  0  0  0  0
    9.8754   -2.3069    3.3129 C   0  0  0  0  0
    9.7280   -2.9879    4.5267 C   0  0  0  0  0
   10.8326   -3.1900    5.3509 C   0  0  0  0  0
   12.0843   -2.7160    4.9743 C   0  0  0  0  0
   12.2320   -2.0388    3.7615 C   0  0  0  0  0
   10.6516   -4.0371    6.8368 Cl  0  0  0  0  0
    0.7171    4.1681    2.1142 H   0  0  0  0  0
    0.5451    2.6478    3.0126 H   0  0  0  0  0
    0.6843    2.6363    1.2161 H   0  0  0  0  0
    4.6996    3.8925    1.8704 H   0  0  0  0  0
    7.1328    3.8693    2.2118 H   0  0  0  0  0
    6.9121   -0.2231    3.5650 H   0  0  0  0  0
    4.4731   -0.2058    3.2099 H   0  0  0  0  0
    8.9710    1.1398    3.9187 H   0  0  0  0  0
    9.0485    2.8035    3.3780 H   0  0  0  0  0
    9.0955    2.0179    0.9734 H   0  0  0  0  0
    9.0005    0.3585    1.5128 H   0  0  0  0  0
   13.9778    3.9217    2.3253 H   0  0  0  0  0
   16.2063    2.8442    2.0038 H   0  0  0  0  0
   16.3642    0.4351    1.4778 H   0  0  0  0  0
   14.3189   -0.9605    1.2923 H   0  0  0  0  0
   12.0603   -1.6368    0.9883 H   0  0  0  0  0
   10.3825   -1.1518    0.9898 H   0  0  0  0  0
    9.0005   -2.1684    2.6812 H   0  0  0  0  0
    8.7512   -3.3630    4.8210 H   0  0  0  0  0
   12.9495   -2.8692    5.6144 H   0  0  0  0  0
   13.2226   -1.6816    3.4913 H   0  0  0  0  0
  1  2  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  2  3  1  0  0  0
  3  5  1  0  0  0
  3  4  2  0  0  0
  5  6  2  0  0  0
  5 10  1  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 11  1  0  0  0
  9 10  2  0  0  0
  9 35  1  0  0  0
 10 36  1  0  0  0
 11 12  1  0  0  0
 11 37  1  0  0  0
 11 38  1  0  0  0
 12 13  1  0  0  0
 12 39  1  0  0  0
 12 40  1  0  0  0
 13 21  1  0  0  0
 13 14  2  0  0  0
 14 15  1  0  0  0
 15 20  1  0  0  0
 15 16  2  0  0  0
 16 17  1  0  0  0
 16 41  1  0  0  0
 17 18  2  0  0  0
 17 42  1  0  0  0
 18 19  1  0  0  0
 18 43  1  0  0  0
 19 20  2  0  0  0
 19 44  1  0  0  0
 20 21  1  0  0  0
 21 22  1  0  0  0
 22 23  1  0  0  0
 22 45  1  0  0  0
 22 46  1  0  0  0
 23 24  2  0  0  0
 23 28  1  0  0  0
 24 25  1  0  0  0
 24 47  1  0  0  0
 25 26  2  0  0  0
 25 48  1  0  0  0
 26 27  1  0  0  0
 26 29  1  0  0  0
 27 28  2  0  0  0
 27 49  1  0  0  0
 28 50  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL108289

>  <PubChem CID>
44338326

>  <Formula>
C24H21ClN2O2

>  <Molecular Weight>
404.894000

>  <IUPAC Name>
methyl 4-[2-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]benzoate

>  <XlogP>
5.8

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
COC(=O)C1=CC=C(C=C1)CCC2=NC3=CC=CC=C3N2CC4=CC=C(C=C4)Cl

>  <Isomeric SMILES>
COC(=O)C1=CC=C(C=C1)CCC2=NC3=CC=CC=C3N2CC4=CC=C(C=C4)Cl

>  <InChI Std. ID>
InChI=1S/C24H21ClN2O2/c1-29-24(28)19-11-6-17(7-12-19)10-15-23-26-21-4-2-3-5-22(21)27(23)16-18-8-13-20(25)14-9-18/h2-9,11-14H,10,15-16H2,1H3

>  <InChI Key>
AFECYHQHVIVPNI-UHFFFAOYSA-N

