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270 : Summary

Code

270

One-letter code

X

Molecule name

2H-BENZOIMIDAZOL-2-YLAMINE

Systematic names

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

Formula

C7 H7 N3

Formal charge

0

Molecular weight

133.151 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 N1=C2C=CC=CC2=NC1N
SMILES CACTVS 3.341 NC1N=C2C=CC=CC2=N1
SMILES OpenEye OEToolkits 1.5.0 C1=CC2=NC(N=C2C=C1)N
Canonical SMILES CACTVS 3.341 NC1N=C2C=CC=CC2=N1
Canonical SMILES OpenEye OEToolkits 1.5.0 C1=CC2=NC(N=C2C=C1)N

IUPAC InChI

InChI=1S/C7H7N3/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4,7H,8H2

IUPAC InChI key

DERVZEOWPBCBHO-UHFFFAOYSA-N
270

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

1999-07-08

Last modified at

2020-06-17

Status

Released

Obsoleted

Not Assigned