Compound Identification
SMILES
CN(C)CCCNC(=O)C1(C)COC(OC1)C1=NC(=C(N1)C1=NC(NCCC(O)=O)=NC=C1)C1=CC=C(F)C=C1
InChIKey
InChIKey=PBIWRVKNUZKJDP-UHFFFAOYSA-N
Formula
C27H34FN7O5
Mass
555.611
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
Beta amino acids and derivatives 2,4,5-trisubstituted imidazoles Imidazolyl carboxylic acids and derivatives Secondary alkylarylamines Aminopyrimidines and derivatives Fluorobenzenes 1,3-dioxanes Aryl fluorides Heteroaromatic compounds Trialkylamines Amino acids Secondary carboxylic acid amides Carboxylic acids Azacyclic compounds Oxacyclic compounds Acetals Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Carbonyl compounds Organofluorides Organopnictogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Beta amino acid or derivatives - 5-phenylimidazole - 4-phenylimidazole - 2,4,5-trisubstituted-imidazole - Imidazolyl carboxylic acid derivative - Trisubstituted imidazole - Aminopyrimidine - Fluorobenzene - Halobenzene - Secondary aliphatic/aromatic amine - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Meta-dioxane - Pyrimidine - Benzenoid - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Amino acid or derivatives - Amino acid - Carboxamide group - Acetal - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Carboxylic acid - Oxacycle - Azacycle - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organohalogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Amine - 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