English 日本語简体中文繁體中文 한국어

✖

Menu

RCSB PDB PDBe BMRB Adv. Search Search help

Summary Geometry Related PDB entries

OKI

Summary

Name:	(2S)-2-[2-(4-chlorophenyl)-1H-benzimidazol-1-yl]-N,2-dicyclohexylethanamide
Formula:	C27 H32 Cl N3 O
Formal charge:	0
Formula weight:	450.015 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	(2S)-2-[2-(4-chlorophenyl)-1H-benzimidazol-1-yl]-N,2-dicyclohexylethanamide
OpenEye OEToolkits	1.7.0	(2S)-2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N,2-dicyclohexyl-ethanamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Clc5ccc(c2nc1ccccc1n2C(C(=O)NC3CCCCC3)C4CCCCC4)cc5
SMILES_CANONICAL	CACTVS	3.370	Clc1ccc(cc1)c2nc3ccccc3n2[C@@H](C4CCCCC4)C(=O)NC5CCCCC5
SMILES	CACTVS	3.370	Clc1ccc(cc1)c2nc3ccccc3n2[CH](C4CCCCC4)C(=O)NC5CCCCC5
SMILES_CANONICAL	OpenEye OEToolkits	1.7.0	c1ccc2c(c1)nc(n2[C@@H](C3CCCCC3)C(=O)NC4CCCCC4)c5ccc(cc5)Cl
SMILES	OpenEye OEToolkits	1.7.0	c1ccc2c(c1)nc(n2C(C3CCCCC3)C(=O)NC4CCCCC4)c5ccc(cc5)Cl
InChI	InChI	1.03	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
InChIKey	InChI	1.03	DZGNRZLPMHOISU-VWLOTQADSA-N

248335

PDB entries from 2026-01-28

PDB statistics

PDBj update info

Contact PDBj

numon