Molecule ID: 2687

IUPAC Name: 4-[3-(tert-butylamino)-2-hydroxypropoxy]-1,3-dihydrobenzimidazol-2-one

Description: The molecule is a benzimidazole that is benzimidazol-2-one substituted at position 4 by a 3-(tert-butylamino)-2-hydroxypropoxy group. It has a role as a beta-adrenergic antagonist. It is a member of benzimidazoles, an aromatic ether, a secondary amino compound and a secondary alcohol.

SMILES: CC(C)(C)NCC(O)COc1cccc2nc(O)[nH]c12

SELFIES: [C][C][Branch1][C][C][Branch1][C][C][N][C][C][Branch1][C][O][C][O][C][=C][C][=C][C][N][=C][Branch1][C][O][NH1][C][Ring1][#Branch2][=Ring1][=Branch1]

InChI: InChI=1S/C14H21N3O3/c1-14(2,3)15-7-9(18)8-20-11-6-4-5-10-12(11)17-13(19)16-10/h4-6,9,15,18H,7-8H2,1-3H3,(H2,16,17,19)

Molecular Properties:
- Polar Surface Area: 82.6 Ų
- LogP: 0.5