OKI

(2S)-2-[2-(4-chlorophenyl)-1H-benzimidazol-1-yl]-N,2-dicyclohexylethanamide

Created:2010-09-06
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count64
Chiral Atom Count1
Bond Count68
Aromatic Bond Count17
2D diagram of OKI

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Chemical Component Summary

Name(2S)-2-[2-(4-chlorophenyl)-1H-benzimidazol-1-yl]-N,2-dicyclohexylethanamide
Systematic Name (OpenEye OEToolkits)(2S)-2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N,2-dicyclohexyl-ethanamide
FormulaC27 H32 Cl N3 O
Molecular Weight450.015
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Clc5ccc(c2nc1ccccc1n2C(C(=O)NC3CCCCC3)C4CCCCC4)cc5
SMILESCACTVS3.370Clc1ccc(cc1)c2nc3ccccc3n2[CH](C4CCCCC4)C(=O)NC5CCCCC5
SMILESOpenEye OEToolkits1.7.0c1ccc2c(c1)nc(n2C(C3CCCCC3)C(=O)NC4CCCCC4)c5ccc(cc5)Cl
Canonical SMILESCACTVS3.370 Clc1ccc(cc1)c2nc3ccccc3n2[C@@H](C4CCCCC4)C(=O)NC5CCCCC5
Canonical SMILESOpenEye OEToolkits1.7.0 c1ccc2c(c1)nc(n2[C@@H](C3CCCCC3)C(=O)NC4CCCCC4)c5ccc(cc5)Cl
InChIInChI1.03 InChI=1S/C27H32ClN3O/c28-21-17-15-20(16-18-21)26-30-23-13-7-8-14-24(23)31(26)25(19-9-3-1-4-10-19)27(32)29-22-11-5-2-6-12-22/h7-8,13-19,22,25H,1-6,9-12H2,(H,29,32)/t25-/m0/s1
InChIKeyInChI1.03 DZGNRZLPMHOISU-VWLOTQADSA-N

Related Resource References

Resource NameReference
PubChem 49817357