Compound Identification
SMILES
CCCOC1=NC=CC(=N1)C1=C(N=C(N1)C1OCC(C)(CO1)C(O)=O)C1=CC=C(F)C=C1
InChIKey
InChIKey=XTXNJRDEEMATEV-UHFFFAOYSA-N
Formula
C22H23FN4O5
Mass
442.447
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 Imidazolyl carboxylic acids and derivatives Alkyl aryl ethers Fluorobenzenes Pyrimidines and pyrimidine derivatives 1,3-dioxanes Aryl fluorides Heteroaromatic compounds Oxacyclic compounds Carboxylic acids Azacyclic compounds Acetals Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Carbonyl compounds Organofluorides Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
4-phenylimidazole - 5-phenylimidazole - 2,4,5-trisubstituted-imidazole - Imidazolyl carboxylic acid derivative - Trisubstituted imidazole - Fluorobenzene - Alkyl aryl ether - Halobenzene - Meta-dioxane - Aryl fluoride - Monocyclic benzene moiety - Benzenoid - Pyrimidine - Aryl halide - Heteroaromatic compound - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Oxacycle - Ether - Acetal - Azacycle - Organic nitrogen compound - Organohalogen compound - Organofluoride - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen 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