Compound Identification
SMILES
COC1=CC=C(NC2=NC3=C(C=C4OC(=O)C(C(N)=O)=C(C)C4=C3)N2C2=CC(Br)=CC=C2)C=C1
InChIKey
InChIKey=TXCQXFUWZGVVQI-UHFFFAOYSA-N
Formula
C25H19BrN4O4
Mass
519.355
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Benzimidazoles
- Subclass Phenylbenzimidazoles
-
Class
Benzimidazoles
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzimidazoles
Subclass
Phenylbenzimidazoles
Intermediate Tree Nodes
Not available
Direct Parent
Phenylbenzimidazoles
Alternative Parents
Phenylimidazoles Coumarins and derivatives 1-benzopyrans Methoxyanilines Phenoxy compounds Anisoles Methoxybenzenes Pyranones and derivatives Alkyl aryl ethers Bromobenzenes Aminoimidazoles Aryl bromides N-substituted imidazoles Heteroaromatic compounds Primary carboxylic acid amides Amino acids and derivatives Lactones Oxacyclic compounds Azacyclic compounds Secondary amines Organic oxides Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenylbenzimidazole - Coumarin - 1-phenylimidazole - Benzopyran - 1-benzopyran - Methoxyaniline - Anisole - Phenoxy compound - Phenol ether - Methoxybenzene - Aniline or substituted anilines - Alkyl aryl ether - Bromobenzene - Halobenzene - Pyranone - Monocyclic benzene moiety - Aryl halide - N-substituted imidazole - Aryl bromide - Pyran - Benzenoid - Aminoimidazole - Azole - Imidazole - Heteroaromatic compound - Carboxamide group - Lactone - Primary carboxylic acid amide - Amino acid or derivatives - Carboxylic acid derivative - Secondary amine - Azacycle - Ether - Oxacycle - Hydrocarbon derivative - Organic oxygen compound - Amine - Organic oxide - Organohalogen compound - Organic nitrogen compound - Organobromide - Organonitrogen compound - Organooxygen 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