Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

AX7 : Summary

Code

AX7

One-letter code

X

Molecule name

1H-benzimidazol-2-amine

Systematic names

ProgramVersionName
ACDLabs 10.04 1H-benzimidazol-2-amine
OpenEye OEToolkits 1.5.0 1H-benzimidazol-2-amine

Formula

C7 H7 N3

Formal charge

0

Molecular weight

133.151 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 n2c1ccccc1nc2N
SMILES CACTVS 3.341 Nc1[nH]c2ccccc2n1
SMILES OpenEye OEToolkits 1.5.0 c1ccc2c(c1)[nH]c(n2)N
Canonical SMILES CACTVS 3.341 Nc1[nH]c2ccccc2n1
Canonical SMILES OpenEye OEToolkits 1.5.0 c1ccc2c(c1)[nH]c(n2)N

IUPAC InChI

InChI=1S/C7H7N3/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H3,8,9,10)

IUPAC InChI key

JWYUFVNJZUSCSM-UHFFFAOYSA-N
AX7

wwPDB Information

Atom count

17 (10 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2007-12-20

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned