Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

DMD : Summary

Code

DMD

One-letter code

X

Molecule name

5,6-DIMETHYLBENZIMIDAZOLE

Systematic names

ProgramVersionName
ACDLabs 10.04 5,6-dimethyl-1H-benzimidazole
OpenEye OEToolkits 1.5.0 5,6-dimethyl-1H-benzimidazole

Formula

C9 H10 N2

Formal charge

0

Molecular weight

146.189 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 n2c1cc(c(cc1nc2)C)C
SMILES CACTVS 3.341 Cc1cc2[nH]cnc2cc1C
SMILES OpenEye OEToolkits 1.5.0 Cc1cc2c(cc1C)nc[nH]2
Canonical SMILES CACTVS 3.341 Cc1cc2[nH]cnc2cc1C
Canonical SMILES OpenEye OEToolkits 1.5.0 Cc1cc2c(cc1C)nc[nH]2

IUPAC InChI

InChI=1S/C9H10N2/c1-6-3-8-9(4-7(6)2)11-5-10-8/h3-5H,1-2H3,(H,10,11)

IUPAC InChI key

LJUQGASMPRMWIW-UHFFFAOYSA-N
DMD

wwPDB Information

Atom count

21 (11 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

1999-09-16

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned