Chemical Components in the PDB

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BZI : Summary

Code

BZI

One-letter code

X

Molecule name

BENZIMIDAZOLE

Systematic names

ProgramVersionName
ACDLabs 10.04 1H-benzimidazole
OpenEye OEToolkits 1.5.0 1H-benzimidazole

Formula

C7 H6 N2

Formal charge

0

Molecular weight

118.136 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 n2c1ccccc1nc2
SMILES CACTVS 3.341 [nH]1cnc2ccccc12
SMILES OpenEye OEToolkits 1.5.0 c1ccc2c(c1)[nH]cn2
Canonical SMILES CACTVS 3.341 [nH]1cnc2ccccc12
Canonical SMILES OpenEye OEToolkits 1.5.0 c1ccc2c(c1)[nH]cn2

IUPAC InChI

InChI=1S/C7H6N2/c1-2-4-7-6(3-1)8-5-9-7/h1-5H,(H,8,9)

IUPAC InChI key

HYZJCKYKOHLVJF-UHFFFAOYSA-N
BZI

wwPDB Information

Atom count

15 (9 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

1999-07-08

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned