Compound Identification
SMILES
NC1(CCN(CC1)C1=NC=NC2=C1C=CN2)C1=NC2=C(N1)C=C(Br)C=C2
InChIKey
InChIKey=XMWSWSHPNZRCTO-UHFFFAOYSA-N
Formula
C18H18BrN7
Mass
412.295
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
Pyrrolo[2,3-d]pyrimidines Dialkylarylamines Aralkylamines Aminopyrimidines and derivatives Aminopiperidines Imidolactams Benzenoids Aryl bromides Pyrroles Imidazoles Heteroaromatic compounds Azacyclic compounds Organobromides Monoalkylamines Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzimidazole - Pyrrolo[2,3-d]pyrimidine - Pyrrolopyrimidine - Dialkylarylamine - 4-aminopiperidine - Aminopyrimidine - Aralkylamine - Aryl bromide - Aryl halide - Piperidine - Pyrimidine - Benzenoid - Imidolactam - Imidazole - Azole - Pyrrole - Heteroaromatic compound - Tertiary amine - Azacycle - Primary amine - Amine - Organonitrogen compound - Organobromide - Organohalogen compound - Primary aliphatic amine - Organic nitrogen compound - Hydrocarbon derivative - 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