Compound Identification
SMILES
[Cl-].[Cl-].COC1=CC=C(C=C1)C1=C[N+]2=C(NC3=CC=CC=C23)N1CCN1CC[NH+](CCO)CC1
InChIKey
InChIKey=HTXPOUMPUBZLLL-UHFFFAOYSA-N
Formula
C24H31Cl2N5O2
Mass
492.45
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
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Class
Azoles
-
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
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Azoles
Subclass
Imidazoles
Intermediate Tree Nodes
Substituted imidazoles
Direct Parent
Phenylimidazoles
Alternative Parents
Benzimidazoles Anisoles Methoxybenzenes Phenoxy compounds N-alkylpiperazines Alkyl aryl ethers N-substituted imidazoles Heteroaromatic compounds Quaternary ammonium salts Trialkylamines 1,2-aminoalcohols Azacyclic compounds Organic chloride salts Hydrocarbon derivatives Primary alcohols Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
5-phenylimidazole - 4-phenylimidazole - Benzimidazole - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - N-alkylpiperazine - Monocyclic benzene moiety - 1,4-diazinane - N-substituted imidazole - Piperazine - Benzenoid - Quaternary ammonium salt - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - 1,2-aminoalcohol - Ether - Alkanolamine - Azacycle - Amine - Alcohol - Hydrocarbon derivative - Organic chloride salt - Organic oxygen compound - Organic nitrogen compound - Primary alcohol - Organonitrogen compound - Organooxygen compound - Organic salt - Organic cation - 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