Compound Identification
SMILES
NC(=O)OC1=CC=CC2=C1N=C(N2)N1CCCN(CCC2=CC=C(O)C=C2)CC1
InChIKey
InChIKey=XWMRHQXRQWNTHV-UHFFFAOYSA-N
Formula
C21H25N5O3
Mass
395.463
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
Phenethylamines Dialkylarylamines Aralkylamines 1-hydroxy-2-unsubstituted benzenoids 1,4-diazepanes Aminoimidazoles Heteroaromatic compounds Carbamate esters Trialkylamines Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzimidazole - Phenethylamine - Dialkylarylamine - Diazepane - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Aralkylamine - 1,4-diazepane - Monocyclic benzene moiety - Benzenoid - Aminoimidazole - Heteroaromatic compound - Azole - Imidazole - Carbamic acid ester - Tertiary amine - Tertiary aliphatic amine - Azacycle - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Amine - 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