Chemical Components in the PDB

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CZX : Summary

Code

CZX

One-letter code

X

Molecule name

4-[(1~{S})-1-(2,3-dimethylphenyl)ethyl]-1~{H}-imidazole

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 4-[(1~{S})-1-(2,3-dimethylphenyl)ethyl]-1~{H}-imidazole

Formula

C13 H16 N2

Formal charge

0

Molecular weight

200.28 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 C[CH](c1c[nH]cn1)c2cccc(C)c2C
SMILES OpenEye OEToolkits 2.0.7 Cc1cccc(c1C)C(C)c2c[nH]cn2
Canonical SMILES CACTVS 3.385 C[C@H](c1c[nH]cn1)c2cccc(C)c2C
Canonical SMILES OpenEye OEToolkits 2.0.7 Cc1cccc(c1C)[C@H](C)c2c[nH]cn2

IUPAC InChI

InChI=1S/C13H16N2/c1-9-5-4-6-12(10(9)2)11(3)13-7-14-8-15-13/h4-8,11H,1-3H3,(H,14,15)/t11-/m0/s1

IUPAC InChI key

CUHVIMMYOGQXCV-NSHDSACASA-N
CZX

wwPDB Information

Atom count

31 (15 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2019-05-24

Last modified at

2020-04-10

Status

Released

Obsoleted

Not Assigned