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Summary Geometry Related PDB entries

FVY

Summary

Name:	1-[(3-chloro-4-fluorophenyl)methyl]-5,6-dimethyl-1H-benzimidazol-2-amine
Formula:	C16 H15 Cl F N3
Formal charge:	0
Formula weight:	303.762 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	1-[(3-chloro-4-fluorophenyl)methyl]-5,6-dimethyl-1H-benzimidazol-2-amine
OpenEye OEToolkits	2.0.6	1-[(3-chloranyl-4-fluoranyl-phenyl)methyl]-5,6-dimethyl-benzimidazol-2-amine

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c1c(c(cc2nc(n(c12)Cc3ccc(c(c3)Cl)F)N)C)C
InChI	InChI	1.03	InChI=1S/C16H15ClFN3/c1-9-5-14-15(6-10(9)2)21(16(19)20-14)8-11-3-4-13(18)12(17)7-11/h3-7H,8H2,1-2H3,(H2,19,20)
InChIKey	InChI	1.03	XXDDSHXUGVBBOJ-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Cc1cc2nc(N)n(Cc3ccc(F)c(Cl)c3)c2cc1C
SMILES	CACTVS	3.385	Cc1cc2nc(N)n(Cc3ccc(F)c(Cl)c3)c2cc1C
SMILES_CANONICAL	OpenEye OEToolkits	2.0.6	Cc1cc2c(cc1C)n(c(n2)N)Cc3ccc(c(c3)Cl)F
SMILES	OpenEye OEToolkits	2.0.6	Cc1cc2c(cc1C)n(c(n2)N)Cc3ccc(c(c3)Cl)F

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