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Summary Geometry Related PDB entries

FV4

Summary

Name:	6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-(piperazin-1-yl)-1H-benzimidazole
Formula:	C20 H22 Cl F N4
Formal charge:	0
Formula weight:	372.867 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-(piperazin-1-yl)-1H-benzimidazole
OpenEye OEToolkits	2.0.6	6-chloranyl-1-[(4-fluoranyl-3,5-dimethyl-phenyl)methyl]-2-piperazin-1-yl-benzimidazole

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	n3c1ccc(cc1n(Cc2cc(c(c(C)c2)F)C)c3N4CCNCC4)Cl
InChI	InChI	1.03	InChI=1S/C20H22ClFN4/c1-13-9-15(10-14(2)19(13)22)12-26-18-11-16(21)3-4-17(18)24-20(26)25-7-5-23-6-8-25/h3-4,9-11,23H,5-8,12H2,1-2H3
InChIKey	InChI	1.03	HQRYJQRNCCMWFK-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Cc1cc(Cn2c3cc(Cl)ccc3nc2N4CCNCC4)cc(C)c1F
SMILES	CACTVS	3.385	Cc1cc(Cn2c3cc(Cl)ccc3nc2N4CCNCC4)cc(C)c1F
SMILES_CANONICAL	OpenEye OEToolkits	2.0.6	Cc1cc(cc(c1F)C)Cn2c3cc(ccc3nc2N4CCNCC4)Cl
SMILES	OpenEye OEToolkits	2.0.6	Cc1cc(cc(c1F)C)Cn2c3cc(ccc3nc2N4CCNCC4)Cl

227344

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