Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

ET2 : Summary

Code

ET2

One-letter code

X

Molecule name

6-fluoro-1H-benzimidazol-2-amine

Systematic names

ProgramVersionName
OpenEye OEToolkits 1.6.1 6-fluoro-1H-benzimidazol-2-amine

Formula

C7 H6 F N3

Formal charge

0

Molecular weight

151.141 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.352 Nc1[nH]c2cc(F)ccc2n1
SMILES OpenEye OEToolkits 1.7.0 c1cc2c(cc1F)[nH]c(n2)N
Canonical SMILES CACTVS 3.352 Nc1[nH]c2cc(F)ccc2n1
Canonical SMILES OpenEye OEToolkits 1.7.0 c1cc2c(cc1F)[nH]c(n2)N

IUPAC InChI

InChI=1S/C7H6FN3/c8-4-1-2-5-6(3-4)11-7(9)10-5/h1-3H,(H3,9,10,11)

IUPAC InChI key

MKYGXXIXMHTQFA-UHFFFAOYSA-N
ET2

wwPDB Information

Atom count

17 (11 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2009-12-04

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned