Chemical Components in the PDB

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MZZ : Summary

Code

MZZ

One-letter code

X

Molecule name

(4-aminophenyl)-imidazol-1-yl-methanone

Systematic names

ProgramVersionName
ACDLabs 12.01 (4-aminophenyl)(1H-imidazol-1-yl)methanone
OpenEye OEToolkits 1.7.2 (4-aminophenyl)-imidazol-1-yl-methanone

Formula

C10 H9 N3 O

Formal charge

0

Molecular weight

187.198 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(c1ccc(N)cc1)n2ccnc2
SMILES CACTVS 3.370 Nc1ccc(cc1)C(=O)n2ccnc2
SMILES OpenEye OEToolkits 1.7.2 c1cc(ccc1C(=O)n2ccnc2)N
Canonical SMILES CACTVS 3.370 Nc1ccc(cc1)C(=O)n2ccnc2
Canonical SMILES OpenEye OEToolkits 1.7.2 c1cc(ccc1C(=O)n2ccnc2)N

IUPAC InChI

InChI=1S/C10H9N3O/c11-9-3-1-8(2-4-9)10(14)13-6-5-12-7-13/h1-7H,11H2

IUPAC InChI key

HFAQMYBPGXYUBH-UHFFFAOYSA-N
MZZ

wwPDB Information

Atom count

23 (14 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2011-04-21

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned