Compound Identification
SMILES
COC(=O)C1=C(OC(C)C2=C(Cl)C(OCCBr)=CC=C2)C=C(S1)N1C=NC2=C1C=CC(Cl)=C2
InChIKey
InChIKey=XVVNWQCSEPJOSO-UHFFFAOYSA-N
Formula
C23H19BrCl2N2O4S
Mass
570.28
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
Thiophene carboxylic acids and derivatives Phenoxy compounds Phenol ethers 2,3,5-trisubstituted thiophenes Alkyl aryl ethers Chlorobenzenes Aryl chlorides N-substituted imidazoles Methyl esters Heteroaromatic compounds Azacyclic compounds Organic oxides Organonitrogen compounds Organobromides Alkyl bromides Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzimidazole - Phenol ether - Thiophene carboxylic acid or derivatives - 2,3,5-trisubstituted thiophene - Phenoxy compound - Chlorobenzene - Halobenzene - Alkyl aryl ether - Aryl chloride - Aryl halide - Monocyclic benzene moiety - N-substituted imidazole - Benzenoid - Methyl ester - Thiophene - Azole - Heteroaromatic compound - Imidazole - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Ether - Alkyl halide - Hydrocarbon derivative - Organohalogen compound - Organobromide - Organic nitrogen compound - Organic oxide - Organochloride - Organic oxygen compound - Alkyl bromide - Organonitrogen compound - Organooxygen 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