Chemical Components in the PDB

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WZL : Summary

Code

WZL

One-letter code

X

Molecule name

7-bromanyl-3-(phenylmethyl)-1~{H}-benzimidazol-2-one

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 7-bromanyl-3-(phenylmethyl)-1~{H}-benzimidazol-2-one

Formula

C14 H11 Br N2 O

Formal charge

0

Molecular weight

303.154 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 Brc1cccc2N(Cc3ccccc3)C(=O)Nc12
SMILES OpenEye OEToolkits 2.0.7 c1ccc(cc1)CN2c3cccc(c3NC2=O)Br
Canonical SMILES CACTVS 3.385 Brc1cccc2N(Cc3ccccc3)C(=O)Nc12
Canonical SMILES OpenEye OEToolkits 2.0.7 c1ccc(cc1)CN2c3cccc(c3NC2=O)Br

IUPAC InChI

InChI=1S/C14H11BrN2O/c15-11-7-4-8-12-13(11)16-14(18)17(12)9-10-5-2-1-3-6-10/h1-8H,9H2,(H,16,18)

IUPAC InChI key

DXQIMXWTZLDPOP-UHFFFAOYSA-N
WZL

wwPDB Information

Atom count

29 (18 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2023-10-17

Last modified at

2024-03-22

Status

Released

Obsoleted

Not Assigned