Structure Information
Structure

Compound Identification

SMILES

CC1=CN(C=N1)C1=C(C=C(NC2=NN(CC3=CC(Cl)=CC=C3)C=C2)C=C1)C#N

InChIKey

InChIKey=XTTVAIXRVWUAJA-UHFFFAOYSA-N

Formula

C21H17ClN6

Mass

388.86

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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

Benzonitriles Aniline and substituted anilines Chlorobenzenes N-substituted imidazoles Imidolactams Aryl chlorides Pyrazoles Heteroaromatic compounds Secondary amines Nitriles Azacyclic compounds Organochlorides Hydrocarbon derivatives

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

1-phenylimidazole - Benzonitrile - Aniline or substituted anilines - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - N-substituted imidazole - Benzenoid - Imidolactam - Heteroaromatic compound - Pyrazole - Nitrile - Carbonitrile - Secondary amine - Azacycle - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Cyanide - Amine - Organic nitrogen compound - 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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