1-(2-(4-(3-(Trifluoromethyl)phenyl)piperazin-1-yl)ethyl)-1,3-dihydro-2H-benzo[d]imidazol-2-one hydrochloride

• Catalog: OFC147359760
• CAS: 147359-76-0
• Category: Fluorinated Benzimidazoles
• Synonyms: Flibanserin Hydrochloride
• Purity: 95%
• MDL Number: MFCD29058559

• IUPAC Name: 3-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-1H-benzimidazol-2-one;hydrochloride
• InChI: InChI=1S/C20H21F3N4O.ClH/c21-20(22,23)15-4-3-5-16(14-15)26-11-8-25(9-12-26)10-13-27-18-7-2-1-6-17(18)24-19(27)28;/h1-7,14H,8-13H2,(H,24,28);1H
• InChI Key: XGAGFLQFMFCIHZ-UHFFFAOYSA-N
• Isomeric SMILES: C1CN(CCN1CCN2C3=CC=CC=C3NC2=O)C4=CC=CC(=C4)C(F)(F)F.Cl

• Molecular Formula: C20H22ClF3N4O
• Molecular Weight: 426.86
• Storage: Inert atmosphere, room temperature

• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 426.1434235 g/mol
• Monoisotopic Mass: 426.1434235 g/mol
• Topological Polar Surface Area: 38.8Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 550