Chemical Components in the PDB

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2NZ : Summary

Code

2NZ

One-letter code

X

Molecule name

1-(1H-benzimidazol-1-yl)propan-2-one

Systematic names

ProgramVersionName
ACDLabs 12.01 1-(1H-benzimidazol-1-yl)propan-2-one
OpenEye OEToolkits 1.7.6 1-(benzimidazol-1-yl)propan-2-one

Formula

C10 H10 N2 O

Formal charge

0

Molecular weight

174.199 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(C)Cn1c2ccccc2nc1
SMILES CACTVS 3.385 CC(=O)Cn1cnc2ccccc12
SMILES OpenEye OEToolkits 1.7.6 CC(=O)Cn1cnc2c1cccc2
Canonical SMILES CACTVS 3.385 CC(=O)Cn1cnc2ccccc12
Canonical SMILES OpenEye OEToolkits 1.7.6 CC(=O)Cn1cnc2c1cccc2

IUPAC InChI

InChI=1S/C10H10N2O/c1-8(13)6-12-7-11-9-4-2-3-5-10(9)12/h2-5,7H,6H2,1H3

IUPAC InChI key

LKIVJBZMVMCCCL-UHFFFAOYSA-N
2NZ

wwPDB Information

Atom count

23 (13 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2013-12-11

Last modified at

2013-12-20

Status

Released

Obsoleted

Not Assigned