1-(3-Fluoro-benzyl)-2-piperazin-1-yl-1H-benzoimidazole

• Catalog: OFC1420816518
• CAS: 1420816-51-8
• Category: Fluorinated Benzimidazoles
• MDL Number: MFCD22631777

• IUPAC Name: 1-[(3-fluorophenyl)methyl]-2-piperazin-1-ylbenzimidazole
• InChI: InChI=1S/C18H19FN4/c19-15-5-3-4-14(12-15)13-23-17-7-2-1-6-16(17)21-18(23)22-10-8-20-9-11-22/h1-7,12,20H,8-11,13H2
• InChI Key: NRRJXUKXLSFEBV-UHFFFAOYSA-N
• Isomeric SMILES: C1CN(CCN1)C2=NC3=CC=CC=C3N2CC4=CC(=CC=C4)F

• Molecular Formula: C18H19FN4
• Molecular Weight: 310.37

• XLogP3-AA: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 310.15937479 g/mol
• Monoisotopic Mass: 310.15937479 g/mol
• Topological Polar Surface Area: 33.1Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 387