Chemical Components in the PDB

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172 : Summary

Code

172

One-letter code

X

Molecule name

2-AMINO-5-HYDROXY-BENZIMIDAZOLE

Systematic names

ProgramVersionName
ACDLabs 10.04 2-amino-1H-benzimidazol-5-ol
OpenEye OEToolkits 1.5.0 2-amino-1H-benzimidazol-5-ol

Formula

C7 H7 N3 O

Formal charge

0

Molecular weight

149.15 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 Oc2ccc1c(nc(n1)N)c2
SMILES CACTVS 3.341 Nc1[nH]c2ccc(O)cc2n1
SMILES OpenEye OEToolkits 1.5.0 c1cc2c(cc1O)nc([nH]2)N
Canonical SMILES CACTVS 3.341 Nc1[nH]c2ccc(O)cc2n1
Canonical SMILES OpenEye OEToolkits 1.5.0 c1cc2c(cc1O)nc([nH]2)N

IUPAC InChI

InChI=1S/C7H7N3O/c8-7-9-5-2-1-4(11)3-6(5)10-7/h1-3,11H,(H3,8,9,10)

IUPAC InChI key

FNSYWIPPPFVBAV-UHFFFAOYSA-N
172

wwPDB Information

Atom count

18 (11 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2000-09-26

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned