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Summary Geometry Related PDB entries

T50

Summary

Name:	1-(2,6-DIFLUOROBENZYL)-2-(2,6-DIFLUOROPHENYL)-4-METHYL-1H-BENZIMIDAZOLE
Formula:	C21 H14 F4 N2
Formal charge:	0
Formula weight:	370.343 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	10.04	1-(2,6-difluorobenzyl)-2-(2,6-difluorophenyl)-4-methyl-1H-benzimidazole
OpenEye OEToolkits	1.5.0	2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)methyl]-4-methyl-benzimidazole

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	Fc1cccc(F)c1Cn2c4cccc(c4nc2c3c(F)cccc3F)C
SMILES_CANONICAL	CACTVS	3.341	Cc1cccc2n(Cc3c(F)cccc3F)c(nc12)c4c(F)cccc4F
SMILES	CACTVS	3.341	Cc1cccc2n(Cc3c(F)cccc3F)c(nc12)c4c(F)cccc4F
SMILES_CANONICAL	OpenEye OEToolkits	1.5.0	Cc1cccc2c1nc(n2Cc3c(cccc3F)F)c4c(cccc4F)F
SMILES	OpenEye OEToolkits	1.5.0	Cc1cccc2c1nc(n2Cc3c(cccc3F)F)c4c(cccc4F)F
InChI	InChI	1.03	InChI=1S/C21H14F4N2/c1-12-5-2-10-18-20(12)26-21(19-16(24)8-4-9-17(19)25)27(18)11-13-14(22)6-3-7-15(13)23/h2-10H,11H2,1H3
InChIKey	InChI	1.03	JIYRSPUMGRIYBL-UHFFFAOYSA-N

219869

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