Structure Information
Structure

Compound Identification

SMILES

COCCNC1=NC=CC(=N1)C1=C(N=C(N1)C1OCC(C)(CN)CO1)C1=CC=C(F)C=C1

InChIKey

InChIKey=JKACSRRONFMBQF-UHFFFAOYSA-N

Formula

C22H27FN6O3

Mass

442.495

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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

2,4,5-trisubstituted imidazoles Secondary alkylarylamines Fluorobenzenes Aminopyrimidines and derivatives Aryl fluorides 1,3-dioxanes Heteroaromatic compounds Oxacyclic compounds Dialkyl ethers Azacyclic compounds Acetals Organopnictogen compounds Organofluorides Monoalkylamines Hydrocarbon derivatives

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

5-phenylimidazole - 4-phenylimidazole - 2,4,5-trisubstituted-imidazole - Trisubstituted imidazole - Aminopyrimidine - Fluorobenzene - Halobenzene - Secondary aliphatic/aromatic amine - Meta-dioxane - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Heteroaromatic compound - Azacycle - Oxacycle - Acetal - Dialkyl ether - Ether - Organopnictogen compound - Primary amine - Amine - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Hydrocarbon derivative - Primary aliphatic amine - Organohalogen compound - Organofluoride - Organonitrogen 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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