Structure Information
Structure

Compound Identification

SMILES

[O-][N+](=O)C1=C(Br)C=CC(=C1)C1=NC(=C(N1)C1=CC=C(I)C=C1)C1=CC=CC=C1

InChIKey

InChIKey=HFJYTOLUZFUONG-UHFFFAOYSA-N

Formula

C21H13BrIN3O2

Mass

546.162

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Azoles

Subclass

Imidazoles

Intermediate Tree Nodes

Substituted imidazoles

Direct Parent

Phenylimidazoles

Alternative Parents

Nitrobenzenes 2,4,5-trisubstituted imidazoles Nitroaromatic compounds Bromobenzenes Iodobenzenes Aryl bromides Aryl iodides Heteroaromatic compounds Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic zwitterions Organic oxides Organonitrogen compounds Organopnictogen compounds Hydrocarbon derivatives Organobromides Organoiodides

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

2-phenylimidazole - 5-phenylimidazole - 4-phenylimidazole - Nitrobenzene - 2,4,5-trisubstituted-imidazole - Nitroaromatic compound - Trisubstituted imidazole - Bromobenzene - Halobenzene - Iodobenzene - Benzenoid - Aryl halide - Aryl iodide - Monocyclic benzene moiety - Aryl bromide - Heteroaromatic compound - Organic nitro compound - C-nitro compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Azacycle - Organic 1,3-dipolar compound - Organic oxoazanium - Organic zwitterion - Organic oxygen compound - Organohalogen compound - Organobromide - Organic nitrogen compound - Organoiodide - Organonitrogen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as phenylimidazoles. These are polycyclic aromatic compounds containing a benzene ring linked to an imidazole ring through a CC or CN bond.

External Descriptors

Not available

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