1-(4-methylphenyl)-2-[2-(3-oxidanylpropylamino)benzimidazol-1-yl]ethanone hydrobromide

Systemtic Name: 1-(4-methylphenyl)-2-[2-(3-oxidanylpropylamino)benzimidazol-1-yl]ethanone hydrobromide Openeye Name: 2-[2-(3-hydroxypropylamino)benzimidazol-1-yl]-1-(p-tolyl)ethanone hydrobromide CAS Name: 2-[2-(3-hydroxypropylamino)-1-benzimidazolyl]-1-(4-methylphenyl)ethanone hydrobromide IUPAC Name: 2-[2-(3-hydroxypropylamino)benzimidazol-1-yl]-1-(4-methylphenyl)ethanone hydrobromide Traditional Name: 2-[2-(3-hydroxypropylamino)benzimidazol-1-yl]-1-(p-tolyl)ethanone hydrobromide Formula: C19H22BrN3O2 MolecularWeight: 404.30088

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CN2C3=CC=CC=C3N=C2NCCCO.Br

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CN2C3=CC=CC=C3N=C2NCCCO.Br

InChI

InChI=1S/C19H21N3O2.BrH/c1-14-7-9-15(10-8-14)18(24)13-22-17-6-3-2-5-16(17)21-19(22)20-11-4-12-23;/h2-3,5-10,23H,4,11-13H2,1H3,(H,20,21);1H