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8P7 : Summary

Code

8P7

One-letter code

X

Molecule name

2-methyl-1~{H}-benzimidazole

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 2-methyl-1~{H}-benzimidazole

Formula

C8 H8 N2

Formal charge

0

Molecular weight

132.163 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 Cc1[nH]c2ccccc2n1
SMILES OpenEye OEToolkits 2.0.6 Cc1[nH]c2ccccc2n1
Canonical SMILES CACTVS 3.385 Cc1[nH]c2ccccc2n1
Canonical SMILES OpenEye OEToolkits 2.0.6 Cc1[nH]c2ccccc2n1

IUPAC InChI

InChI=1S/C8H8N2/c1-6-9-7-4-2-3-5-8(7)10-6/h2-5H,1H3,(H,9,10)

IUPAC InChI key

LDZYRENCLPUXAX-UHFFFAOYSA-N
8P7

wwPDB Information

Atom count

18 (10 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2017-02-24

Last modified at

2017-03-10

Status

Released

Obsoleted

Not Assigned