1-[1-(4-fluorophenyl)-2-[2-(1-methyl-1H-imidazol-2-yl)-1H-imidazol-1-yl]ethyl]piperidine

• ChemBase ID: 717786
• Molecular Formular: C20H24FN5
• Molecular Mass: 353.4364632
• Monoisotopic Mass: 353.20157401
• SMILES: c1(c2n(ccn2)C)n(CC(N2CCCCC2)c2ccc(cc2)F)ccn1
• Canonical SMILES: Fc1ccc(cc1)C(N1CCCCC1)Cn1ccnc1c1nccn1C
• InChI: InChI=1S/C20H24FN5/c1-24-13-9-22-19(24)20-23-10-14-26(20)15-18(25-11-3-2-4-12-25)16-5-7-17(21)8-6-16/h5-10,13-14,18H,2-4,11-12,15H2,1H3
• InChIKey: LVLPXEHVZIWSJJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[1-(4-fluorophenyl)-2-[2-(1-methyl-1H-imidazol-2-yl)-1H-imidazol-1-yl]ethyl]piperidine
• IUPAC Traditional name: 1-[1-(4-fluorophenyl)-2-[2-(1-methylimidazol-2-yl)imidazol-1-yl]ethyl]piperidine
• Synonyms: 1-[2-(4-fluorophenyl)-2-piperidin-1-ylethyl]-1'-methyl-1H,1'H-2,2'-biimidazole

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.40881518
• LogD (pH = 7.4): 2.2507184
• Log P: 3.3819258
• Molar Refractivity: 121.4883 cm^3
• Polarizability: 38.162548 Å^3
• Polar Surface Area: 38.88 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.68
• LOG S: -3.91
• Polar Surface Area: 38.88 Å^2
• Rotatable Bonds: 5