Structure Information
Structure

Compound Identification

SMILES

COC1=CC=CC(=C1)C1=C(N2C=CSC2=N1)C1=NC(NC2CCN(CC(O)COC3=CC=C(Cl)C=C3)CC2)=NC=C1

InChIKey

InChIKey=HGBVRPKJIACBCW-UHFFFAOYSA-N

Formula

C30H31ClN6O3S

Mass

591.13

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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

Anisoles Phenoxy compounds Methoxybenzenes Alkyl aryl ethers Aminopyrimidines and derivatives Secondary alkylarylamines Chlorobenzenes Aryl chlorides Piperidines N-substituted imidazoles Heteroaromatic compounds Thiazoles Trialkylamines 1,2-aminoalcohols Secondary alcohols Azacyclic compounds Hydrocarbon derivatives Organochlorides

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

5-phenylimidazole - 4-phenylimidazole - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Aminopyrimidine - Chlorobenzene - Halobenzene - Secondary aliphatic/aromatic amine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - N-substituted imidazole - Benzenoid - Piperidine - Pyrimidine - Thiazole - Heteroaromatic compound - Tertiary amine - Secondary alcohol - Tertiary aliphatic amine - 1,2-aminoalcohol - Secondary amine - Azacycle - Ether - Organic oxygen compound - Organic nitrogen compound - Alcohol - Amine - Organohalogen compound - Organochloride - Hydrocarbon derivative - Organonitrogen compound - 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

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