Molecule ID: 4823

IUPAC Name: 3-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one

Description: The molecule is a pyridazinone and a member of benzimidazoles. It has a role as a cardiotonic drug, a vasodilator agent and an EC 3.1.4.* (phosphoric diester hydrolase) inhibitor.

SMILES: COc1ccc(-c2nc3cc(C4=NN=C(O)CC4C)ccc3[nH]2)cc1

SELFIES: [C][O][C][=C][C][=C][Branch2][Ring1][N][C][=N][C][=C][C][Branch1][=N][C][=N][N][=C][Branch1][C][O][C][C][Ring1][#Branch1][C][=C][C][=C][Ring1][=C][NH1][Ring1][P][C][=C][Ring2][Ring1][#Branch1]

InChI: InChI=1S/C19H18N4O2/c1-11-9-17(24)22-23-18(11)13-5-8-15-16(10-13)21-19(20-15)12-3-6-14(25-2)7-4-12/h3-8,10-11H,9H2,1-2H3,(H,20,21)(H,22,24)

Molecular Properties:
- Polar Surface Area: 79.4 Ų
- LogP: 2.7