Compound Identification
SMILES
COC1=C(Br)C=C(CN2C(=O)N(C3CCOCC3)C3=C2C=C(C=C3)C#N)C=C1
InChIKey
InChIKey=MBVOBYUJXOYFQU-UHFFFAOYSA-N
Formula
C21H20BrN3O3
Mass
442.313
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
Phenoxy compounds Anisoles Methoxybenzenes Alkyl aryl ethers Bromobenzenes Oxanes Aryl bromides N-substituted imidazoles Heteroaromatic compounds Ureas Dialkyl ethers Oxacyclic compounds Azacyclic compounds Nitriles Organopnictogen compounds Hydrocarbon derivatives Organic oxides Organobromides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzimidazole - Phenol ether - Methoxybenzene - Anisole - Phenoxy compound - Alkyl aryl ether - Bromobenzene - Halobenzene - Monocyclic benzene moiety - Benzenoid - N-substituted imidazole - Aryl halide - Aryl bromide - Oxane - Azole - Heteroaromatic compound - Imidazole - Urea - Oxacycle - Azacycle - Dialkyl ether - Ether - Carbonitrile - Nitrile - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organobromide - Cyanide - Organic oxide - Organohalogen 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