Compound Identification
SMILES
CCC1=CC=C(C=C1)C1=NC2=C(N1)C=CC=C2N1CCN(CCOC2=CC(O)=C(C=C2)[N+]([O-])=O)CC1
InChIKey
InChIKey=IECYTSHSWSIEBJ-UHFFFAOYSA-N
Formula
C27H29N5O4
Mass
487.56
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Benzimidazoles
- Subclass Phenylbenzimidazoles
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Class
Benzimidazoles
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzimidazoles
Subclass
Phenylbenzimidazoles
Intermediate Tree Nodes
Not available
Direct Parent
Phenylbenzimidazoles
Alternative Parents
N-arylpiperazines Phenylimidazoles Nitrophenyl ethers Nitrophenols Phenoxy compounds Phenol ethers Dialkylarylamines Nitroaromatic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers N-alkylpiperazines Heteroaromatic compounds Trialkylamines Organic oxoazanium compounds Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Hydrocarbon derivatives Organic salts Organic zwitterions Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenylbenzimidazole - N-arylpiperazine - Nitrophenyl ether - 2-phenylimidazole - Nitrophenol - Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Phenol ether - Alkyl aryl ether - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - N-alkylpiperazine - Phenol - Piperazine - Monocyclic benzene moiety - 1,4-diazinane - Benzenoid - Heteroaromatic compound - Azole - Imidazole - C-nitro compound - Organic nitro compound - Tertiary aliphatic amine - Tertiary amine - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic oxoazanium - Azacycle - Ether - Allyl-type 1,3-dipolar organic compound - Organooxygen compound - Organonitrogen compound - Organic salt - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic zwitterion - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as phenylbenzimidazoles. These are compounds containing a phenylbenzimidazole skeleton, which consists of a benzimidazole moiety where its imidazole ring is attached to a phenyl group.
External Descriptors
Not available