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Summary Geometry Related PDB entries

FVJ

Summary

Name:	6-chloro-4-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-(piperazin-1-yl)-1H-benzimidazole
Formula:	C25 H28 Cl F N6
Formal charge:	0
Formula weight:	466.981 Da
Component type:	NON-POLYMER

Chemical Identifiers

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

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	n4c2c(c1c(nnc1C)C)cc(cc2n(Cc3cc(c(c(C)c3)F)C)c4N5CCNCC5)Cl
InChI	InChI	1.03	InChI=1S/C25H28ClFN6/c1-14-9-18(10-15(2)23(14)27)13-33-21-12-19(26)11-20(22-16(3)30-31-17(22)4)24(21)29-25(33)32-7-5-28-6-8-32/h9-12,28H,5-8,13H2,1-4H3,(H,30,31)
InChIKey	InChI	1.03	SVULJAPKAMXBBJ-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Cc1[nH]nc(C)c1c2cc(Cl)cc3n(Cc4cc(C)c(F)c(C)c4)c(nc23)N5CCNCC5
SMILES	CACTVS	3.385	Cc1[nH]nc(C)c1c2cc(Cl)cc3n(Cc4cc(C)c(F)c(C)c4)c(nc23)N5CCNCC5
SMILES_CANONICAL	OpenEye OEToolkits	2.0.6	Cc1cc(cc(c1F)C)Cn2c3cc(cc(c3nc2N4CCNCC4)c5c([nH]nc5C)C)Cl
SMILES	OpenEye OEToolkits	2.0.6	Cc1cc(cc(c1F)C)Cn2c3cc(cc(c3nc2N4CCNCC4)c5c([nH]nc5C)C)Cl

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