Compound Identification
SMILES
CC1=CN=C(COC2=CC(F)=C3N=C(C4C(C(O)=O)C4(C)C)N(CC4=CC=C(Br)C=C4)C3=C2)C=C1
InChIKey
InChIKey=PKDHPACNPULKAY-UHFFFAOYSA-N
Formula
C27H25BrFN3O3
Mass
538.417
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzimidazoles
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzimidazoles
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzimidazoles
Alternative Parents
Phenol ethers Alkyl aryl ethers Methylpyridines Bromobenzenes Aryl bromides Aryl fluorides N-substituted imidazoles Cyclopropanecarboxylic acids Heteroaromatic compounds Azacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organobromides Organofluorides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzimidazole - Phenol ether - Alkyl aryl ether - Bromobenzene - Methylpyridine - Halobenzene - Aryl bromide - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Cyclopropanecarboxylic acid - Cyclopropanecarboxylic acid or derivatives - N-substituted imidazole - Pyridine - Benzenoid - Imidazole - Heteroaromatic compound - Azole - Azacycle - Monocarboxylic acid or derivatives - Ether - Carboxylic acid derivative - Carboxylic acid - Organic oxide - Organic nitrogen compound - Carbonyl group - Organohalogen compound - Organobromide - Organofluoride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzimidazoles. These are organic compounds containing a benzene ring fused to an imidazole ring (five member ring containing a nitrogen atom, 4 carbon atoms, and two double bonds).
External Descriptors
Not available