Chemical Components in the PDB

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UFH : Summary

Code

UFH

One-letter code

X

Molecule name

2-bromanyl-4-imidazol-1-yl-benzaldehyde

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 2-bromanyl-4-imidazol-1-yl-benzaldehyde

Formula

C10 H7 Br N2 O

Formal charge

0

Molecular weight

251.079 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 Brc1cc(ccc1C=O)n2ccnc2
SMILES OpenEye OEToolkits 2.0.7 c1cc(c(cc1n2ccnc2)Br)C=O
Canonical SMILES CACTVS 3.385 Brc1cc(ccc1C=O)n2ccnc2
Canonical SMILES OpenEye OEToolkits 2.0.7 c1cc(c(cc1n2ccnc2)Br)C=O

IUPAC InChI

InChI=1S/C10H7BrN2O/c11-10-5-9(2-1-8(10)6-14)13-4-3-12-7-13/h1-7H

IUPAC InChI key

KDYPLUPJLQBYJO-UHFFFAOYSA-N
UFH

wwPDB Information

Atom count

21 (14 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2021-02-12

Last modified at

2024-09-27

Status

Released

Obsoleted

Not Assigned