Chemical Components in the PDB

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BZC : Summary

Code

BZC

One-letter code

X

Molecule name

2-(3'-METHOXYPHENYL) BENZIMIDAZOLE-4-CARBOXAMIDE

Systematic names

ProgramVersionName
ACDLabs 10.04 2-(3-methoxyphenyl)-1H-benzimidazole-4-carboxamide
OpenEye OEToolkits 1.5.0 2-(3-methoxyphenyl)-1H-benzimidazole-4-carboxamide

Formula

C15 H13 N3 O2

Formal charge

0

Molecular weight

267.283 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(c3cccc1c3nc(n1)c2cccc(OC)c2)N
SMILES CACTVS 3.341 COc1cccc(c1)c2[nH]c3cccc(C(N)=O)c3n2
SMILES OpenEye OEToolkits 1.5.0 COc1cccc(c1)c2[nH]c3cccc(c3n2)C(=O)N
Canonical SMILES CACTVS 3.341 COc1cccc(c1)c2[nH]c3cccc(C(N)=O)c3n2
Canonical SMILES OpenEye OEToolkits 1.5.0 COc1cccc(c1)c2[nH]c3cccc(c3n2)C(=O)N

IUPAC InChI

InChI=1S/C15H13N3O2/c1-20-10-5-2-4-9(8-10)15-17-12-7-3-6-11(14(16)19)13(12)18-15/h2-8H,1H3,(H2,16,19)(H,17,18)

IUPAC InChI key

NVVWVYYHTKCIAE-UHFFFAOYSA-N
BZC

wwPDB Information

Atom count

33 (20 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2000-02-16

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned