Molecule ID: 6025306

IUPAC Name: (E)-3-(2,3-dimethoxyphenyl)-1-(4-methyl-2-phenylimidazo[1,2-a]benzimidazol-1-yl)prop-2-en-1-one

Description: The molecule is an organic heterotricyclic compound that is 9H-imidazo[1,2-a]benzimidazole which is substituted at positions 2, 3, and 9 by phenyl, 2,3-dimethoxycinnamoyl, and methyl groups, respectively. It is a potent activator of osteoblast differentiation. It has a role as an osteogenesis regulator. It is a benzenoid aromatic compound, an organic heterotricyclic compound and an aromatic ether.

SMILES: COc1cccc(/C=C/C(=O)c2c(-c3ccccc3)nc3n(C)c4ccccc4n23)c1OC

SELFIES: [C][O][C][=C][C][=C][C][Branch2][Ring2][#Branch1][/C][=C][/C][=Branch1][C][=O][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][Ring1][Ring1][#Branch2][=C][Ring2][Ring1][=N][O][C]

InChI: InChI=1S/C27H23N3O3/c1-29-20-13-7-8-14-21(20)30-25(24(28-27(29)30)18-10-5-4-6-11-18)22(31)17-16-19-12-9-15-23(32-2)26(19)33-3/h4-17H,1-3H3/b17-16+

Molecular Properties:
- Polar Surface Area: 57.8 Ų
- LogP: 6.1