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Summary Geometry Related PDB entries

9ND

Summary

Name:	(2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexyl-N-phenylacetamide
Formula:	C27 H24 Cl F2 N3 O
Formal charge:	0
Formula weight:	479.949 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	(2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexyl-N-phenylacetamide
OpenEye OEToolkits	2.0.6	(2~{S})-2-[2-(4-chlorophenyl)-5,6-bis(fluoranyl)benzimidazol-1-yl]-2-cyclohexyl-~{N}-phenyl-ethanamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	n3(C(C(=O)Nc1ccccc1)C2CCCCC2)c5cc(c(F)cc5nc3c4ccc(cc4)Cl)F
InChI	InChI	1.03	InChI=1S/C27H24ClF2N3O/c28-19-13-11-18(12-14-19)26-32-23-15-21(29)22(30)16-24(23)33(26)25(17-7-3-1-4-8-17)27(34)31-20-9-5-2-6-10-20/h2,5-6,9-17,25H,1,3-4,7-8H2,(H,31,34)/t25-/m0/s1
InChIKey	InChI	1.03	ARWUUCFDBAFWCD-VWLOTQADSA-N
SMILES_CANONICAL	CACTVS	3.385	Fc1cc2nc(n([C@@H](C3CCCCC3)C(=O)Nc4ccccc4)c2cc1F)c5ccc(Cl)cc5
SMILES	CACTVS	3.385	Fc1cc2nc(n([CH](C3CCCCC3)C(=O)Nc4ccccc4)c2cc1F)c5ccc(Cl)cc5
SMILES_CANONICAL	OpenEye OEToolkits	2.0.6	c1ccc(cc1)NC(=O)[C@H](C2CCCCC2)n3c4cc(c(cc4nc3c5ccc(cc5)Cl)F)F
SMILES	OpenEye OEToolkits	2.0.6	c1ccc(cc1)NC(=O)C(C2CCCCC2)n3c4cc(c(cc4nc3c5ccc(cc5)Cl)F)F

218853

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