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VGF : Summary

Code

VGF

One-letter code

X

Molecule name

1-(3,4-DICHLOROBENZYL)-7-PHENYL-1H-BENZIMIDAZOL-2-AMINE

Systematic names

ProgramVersionName
ACDLabs 10.04 1-(3,4-dichlorobenzyl)-7-phenyl-1H-benzimidazol-2-amine
OpenEye OEToolkits 1.6.1 1-[(3,4-dichlorophenyl)methyl]-7-phenyl-benzimidazol-2-amine

Formula

C20 H15 Cl2 N3

Formal charge

0

Molecular weight

368.259 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 Clc1ccc(cc1Cl)Cn2c3c(nc2N)cccc3c4ccccc4
SMILES CACTVS 3.352 Nc1nc2cccc(c3ccccc3)c2n1Cc4ccc(Cl)c(Cl)c4
SMILES OpenEye OEToolkits 1.6.1 c1ccc(cc1)c2cccc3c2n(c(n3)N)Cc4ccc(c(c4)Cl)Cl
Canonical SMILES CACTVS 3.352 Nc1nc2cccc(c3ccccc3)c2n1Cc4ccc(Cl)c(Cl)c4
Canonical SMILES OpenEye OEToolkits 1.6.1 c1ccc(cc1)c2cccc3c2n(c(n3)N)Cc4ccc(c(c4)Cl)Cl

IUPAC InChI

InChI=1S/C20H15Cl2N3/c21-16-10-9-13(11-17(16)22)12-25-19-15(14-5-2-1-3-6-14)7-4-8-18(19)24-20(25)23/h1-11H,12H2,(H2,23,24)

IUPAC InChI key

JFVMZMBFRZPOFF-UHFFFAOYSA-N
VGF

wwPDB Information

Atom count

40 (25 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

Is modified

No

Standard parent

Not Assigned

Defined at

2009-03-20

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned