Chemical Components in the PDB

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AWG : Summary

Code

AWG

One-letter code

X

Molecule name

~{N}2-(1~{H}-benzimidazol-2-yl)benzene-1,2-diamine

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 ~{N}2-(1~{H}-benzimidazol-2-yl)benzene-1,2-diamine

Formula

C13 H12 N4

Formal charge

0

Molecular weight

224.261 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 Nc1ccccc1Nc2[nH]c3ccccc3n2
SMILES OpenEye OEToolkits 2.0.6 c1ccc(c(c1)N)Nc2[nH]c3ccccc3n2
Canonical SMILES CACTVS 3.385 Nc1ccccc1Nc2[nH]c3ccccc3n2
Canonical SMILES OpenEye OEToolkits 2.0.6 c1ccc(c(c1)N)Nc2[nH]c3ccccc3n2

IUPAC InChI

InChI=1S/C13H12N4/c14-9-5-1-2-6-10(9)15-13-16-11-7-3-4-8-12(11)17-13/h1-8H,14H2,(H2,15,16,17)

IUPAC InChI key

ZZDGNBWCSPZNRU-UHFFFAOYSA-N
AWG

wwPDB Information

Atom count

29 (17 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2017-07-28

Last modified at

2018-08-03

Status

Released

Obsoleted

Not Assigned