Compound Identification
SMILES
CC(=O)NC1=CC=CC(NC2=NN3C(C=N2)=C(C)N=C3C2=CC(=CC=C2)C(F)(F)F)=C1
InChIKey
InChIKey=OBMVBKRXSYKPJS-UHFFFAOYSA-N
Formula
C21H17F3N6O
Mass
426.403
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Azoles
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Subclass
Imidazoles
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Level 5
Substituted imidazoles
- Level 6 Phenylimidazoles
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Level 5
Substituted imidazoles
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Subclass
Imidazoles
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Class
Azoles
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Azoles
Subclass
Imidazoles
Intermediate Tree Nodes
Substituted imidazoles
Direct Parent
Phenylimidazoles
Alternative Parents
Trifluoromethylbenzenes Acetanilides N-acetylarylamines Aniline and substituted anilines Aminotriazines 1,2,4-triazines N-substituted imidazoles Acetamides Heteroaromatic compounds Secondary carboxylic acid amides Amino acids and derivatives Secondary amines Azacyclic compounds Hydrocarbon derivatives Organic oxides Alkyl fluorides Organofluorides Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-phenylimidazole - Trifluoromethylbenzene - Acetanilide - Anilide - N-acetylarylamine - N-arylamide - Aniline or substituted anilines - Aminotriazine - 1,2,4-triazine - N-substituted imidazole - Benzenoid - Triazine - Monocyclic benzene moiety - Acetamide - Heteroaromatic compound - Carboxamide group - Amino acid or derivatives - Secondary carboxylic acid amide - Azacycle - Carboxylic acid derivative - Secondary amine - Organohalogen compound - Amine - Alkyl halide - Alkyl fluoride - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic 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