Compound Identification
SMILES
OC(=O)C(F)(F)F.CC(C)S(=O)(=O)N1C(N)=NC2=C1C=C(C=C2)C1=C(NC(=N1)C1=CC=C(OCCN(C)C)C=C1)C1=CC=CC=C1
InChIKey
InChIKey=MKVSGEMCLHHPJD-UHFFFAOYSA-N
Formula
C31H33F3N6O5S
Mass
658.7
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
Benzimidazoles 2,4,5-trisubstituted imidazoles Phenoxy compounds Phenol ethers Alkyl aryl ethers N-substituted imidazoles Aminoimidazoles Sulfonyls Organosulfonic acids and derivatives Alpha-halocarboxylic acids Heteroaromatic compounds Trialkylamines Monocarboxylic acids and derivatives Azacyclic compounds Carboxylic acids Organofluorides Primary amines Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
Molecular Framework
Not available
Substituents
2-phenylimidazole - 5-phenylimidazole - 4-phenylimidazole - Benzimidazole - 2,4,5-trisubstituted-imidazole - Phenoxy compound - Phenol ether - Trisubstituted imidazole - Alkyl aryl ether - Aminoimidazole - N-substituted imidazole - Benzenoid - Monocyclic benzene moiety - Organic sulfonic acid or derivatives - Alpha-halocarboxylic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Heteroaromatic compound - Alpha-halocarboxylic acid - Tertiary aliphatic amine - Tertiary amine - Azacycle - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Organosulfur compound - Primary amine - Organohalogen compound - Organofluoride - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Alkyl halide - Alkyl fluoride - 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