Compound Identification
SMILES
COC1=C(C=NC2=C(C=CC(Cl)=C2)N2C=CN=C2)C=CC(=C1)N(CCCl)CCCl
InChIKey
InChIKey=OXUBYYSHURFSKA-UHFFFAOYSA-N
Formula
C21H21Cl3N4O
Mass
451.78
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
Aminophenyl ethers Methoxyanilines Phenoxy compounds Anisoles Nitrogen mustard compounds Methoxybenzenes Dialkylarylamines Alkyl aryl ethers Chlorobenzenes Aryl chlorides N-substituted imidazoles Heteroaromatic compounds Shiff bases Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Alkyl chlorides Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
1-phenylimidazole - Aminophenyl ether - Methoxyaniline - Phenoxy compound - Anisole - Nitrogen mustard - Methoxybenzene - Aniline or substituted anilines - Dialkylarylamine - Phenol ether - Tertiary aliphatic/aromatic amine - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - N-substituted imidazole - Benzenoid - Heteroaromatic compound - Tertiary amine - Shiff base - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Azacycle - Aldimine - Ether - Organooxygen compound - Imine - Hydrocarbon derivative - Alkyl chloride - Organic nitrogen compound - Alkyl halide - Organic oxygen compound - Organohalogen compound - Organochloride - Organonitrogen compound - 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