Chemical Components in the PDB

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7HQ : Summary

Code

7HQ

One-letter code

X

Molecule name

benzimidazol-1-ylmethanol

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 benzimidazol-1-ylmethanol

Formula

C8 H8 N2 O

Formal charge

0

Molecular weight

148.162 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 OCn1cnc2ccccc12
SMILES OpenEye OEToolkits 2.0.6 c1ccc2c(c1)ncn2CO
Canonical SMILES CACTVS 3.385 OCn1cnc2ccccc12
Canonical SMILES OpenEye OEToolkits 2.0.6 c1ccc2c(c1)ncn2CO

IUPAC InChI

InChI=1S/C8H8N2O/c11-6-10-5-9-7-3-1-2-4-8(7)10/h1-5,11H,6H2

IUPAC InChI key

IWCRZZKSGBFRSJ-UHFFFAOYSA-N
7HQ

wwPDB Information

Atom count

19 (11 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2016-11-01

Last modified at

2016-12-09

Status

Released

Obsoleted

Not Assigned