
 CHEMBL510065

 73 79  0  0  0  0  0  0  0  0999 V2000
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    9.0430    9.7721   -6.1581 H   0  0  0  0  0
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   10.9317    9.6616    0.5658 H   0  0  0  0  0
    9.5629    6.1485   -1.2789 H   0  0  0  0  0
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   16.4816    2.9441    0.7677 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL510065

>  <PubChem CID>
44563175

>  <Formula>
C35H31ClN6

>  <Molecular Weight>
571.125000

>  <IUPAC Name>
1-[[4-[2-(5-chloro-1H-imidazol-2-yl)phenyl]phenyl]methyl]-4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazole

>  <XlogP>
8.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CCCC1=NC2=C(C=C(C=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NC=C(N5)Cl)C6=NC7=CC=CC=C7N6C)C

>  <Isomeric SMILES>
CCCC1=NC2=C(C=C(C=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NC=C(N5)Cl)C6=NC7=CC=CC=C7N6C)C

>  <InChI Std. ID>
InChI=1S/C35H31ClN6/c1-4-9-32-40-33-22(2)18-25(35-38-28-12-7-8-13-29(28)41(35)3)19-30(33)42(32)21-23-14-16-24(17-15-23)26-10-5-6-11-27(26)34-37-20-31(36)39-34/h5-8,10-20H,4,9,21H2,1-3H3,(H,37,39)

>  <InChI Key>
DVKHJTMTIXBCGR-UHFFFAOYSA-N

