Structure Information
Structure

Compound Identification

SMILES

C[C@@H](N1C=CN(C1=O)C1=CC=C(F)C=C1)[C@](O)(CN1C=NC=N1)C1=C(F)C=C(F)C=C1

InChIKey

InChIKey=KMCLYLDVELAZBS-SPLOXXLWSA-N

Formula

C21H18F3N5O2

Mass

429.403

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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

Phenylpropanes Fluorobenzenes N-substituted imidazoles Aryl fluorides Triazoles Tertiary alcohols Heteroaromatic compounds Ureas Azacyclic compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Aromatic alcohols

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

1-phenylimidazole - Phenylpropane - Fluorobenzene - Halobenzene - Benzenoid - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - N-substituted imidazole - Heteroaromatic compound - 1,2,4-triazole - Tertiary alcohol - Urea - Azacycle - Organic oxide - Organonitrogen compound - Organofluoride - Organohalogen compound - Organooxygen compound - Alcohol - Organic nitrogen compound - Organic oxygen compound - Aromatic alcohol - 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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