Chemical Components in the PDB

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TQK : Summary

Code

TQK

One-letter code

X

Molecule name

2-methyl-4-(2-phenylimidazol-1-yl)benzaldehyde

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 2-methyl-4-(2-phenylimidazol-1-yl)benzaldehyde

Formula

C17 H14 N2 O

Formal charge

0

Molecular weight

262.306 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 Cc1cc(ccc1C=O)n2ccnc2c3ccccc3
SMILES OpenEye OEToolkits 2.0.7 Cc1cc(ccc1C=O)n2ccnc2c3ccccc3
Canonical SMILES CACTVS 3.385 Cc1cc(ccc1C=O)n2ccnc2c3ccccc3
Canonical SMILES OpenEye OEToolkits 2.0.7 Cc1cc(ccc1C=O)n2ccnc2c3ccccc3

IUPAC InChI

InChI=1S/C17H14N2O/c1-13-11-16(8-7-15(13)12-20)19-10-9-18-17(19)14-5-3-2-4-6-14/h2-12H,1H3

IUPAC InChI key

JLZNBKMFWOJNBX-UHFFFAOYSA-N
TQK

wwPDB Information

Atom count

34 (20 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2021-01-12

Last modified at

2021-06-11

Status

Released

Obsoleted

Not Assigned