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M3H : Summary

Code

M3H

One-letter code

X

Molecule name

2-phenyl-4,5-dihydro-1~{H}-imidazole

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 2-phenyl-4,5-dihydro-1~{H}-imidazole

Formula

C9 H10 N2

Formal charge

0

Molecular weight

146.189 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 C1CN=C(N1)c2ccccc2
SMILES OpenEye OEToolkits 2.0.7 c1ccc(cc1)C2=NCCN2
Canonical SMILES CACTVS 3.385 C1CN=C(N1)c2ccccc2
Canonical SMILES OpenEye OEToolkits 2.0.7 c1ccc(cc1)C2=NCCN2

IUPAC InChI

InChI=1S/C9H10N2/c1-2-4-8(5-3-1)9-10-6-7-11-9/h1-5H,6-7H2,(H,10,11)

IUPAC InChI key

BKCCAYLNRIRKDJ-UHFFFAOYSA-N
M3H

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

2019-10-03

Last modified at

2020-02-28

Status

Released

Obsoleted

Not Assigned