Compound Identification
SMILES
CN1CCN(CC1)C(=O)C1(C)COC(OC1)C1=NC(=C(N1)C1=NC(NCC=C)=NC=C1)C1=CC=C(F)C=C1
InChIKey
InChIKey=KLFHIWSIICOTCW-UHFFFAOYSA-N
Formula
C27H32FN7O3
Mass
521.597
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
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Superclass
Organoheterocyclic compounds
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 Aminopyrimidines and derivatives Fluorobenzenes N-methylpiperazines 1,3-dioxanes Aryl fluorides Tertiary carboxylic acid amides Heteroaromatic compounds Trialkylamines Amino acids and derivatives Azacyclic compounds Oxacyclic compounds Acetals Organofluorides Carbonyl compounds Organopnictogen compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
5-phenylimidazole - 4-phenylimidazole - 2,4,5-trisubstituted-imidazole - Trisubstituted imidazole - Aminopyrimidine - Fluorobenzene - Halobenzene - Secondary aliphatic/aromatic amine - N-methylpiperazine - N-alkylpiperazine - Benzenoid - Meta-dioxane - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - 1,4-diazinane - Piperazine - Pyrimidine - Tertiary carboxylic acid amide - Heteroaromatic compound - Amino acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Carboxamide group - Oxacycle - Azacycle - Acetal - Carboxylic acid derivative - Organopnictogen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organohalogen compound - Organofluoride - Amine - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic oxide - 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