Molecule ID: 10316307

IUPAC Name: 8-chloro-6-(2-fluorophenyl)-1-(hydroxymethyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-4-ol

Description: The molecule is an imidazobenzodiazepine that is midazolam which is substituted by a hydroxy group at positions 2 and 4. It is the minor metabolite of the anesthetic, midazolam. It has a role as a drug metabolite. It is an imidazobenzodiazepine, a member of monofluorobenzenes, an organochlorine compound and an aromatic primary alcohol. It derives from a midazolam.

SMILES: OCc1ncc2n1-c1ccc(Cl)cc1C(c1ccccc1F)=NC2O

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

InChI: InChI=1S/C18H13ClFN3O2/c19-10-5-6-14-12(7-10)17(11-3-1-2-4-13(11)20)22-18(25)15-8-21-16(9-24)23(14)15/h1-8,18,24-25H,9H2

Molecular Properties:
- Polar Surface Area: 70.6 Ų
- LogP: 2.1