(2-{2-[1-(5-fluoro-2-methoxybenzoyl)piperidin-4-yl]-1H-imidazol-1-yl}ethyl)dimethylamine

• ChemBase ID: 526929
• Molecular Formular: C20H27FN4O2
• Molecular Mass: 374.4523832
• Monoisotopic Mass: 374.21180434
• SMILES: c1(C(=O)N2CCC(c3n(ccn3)CCN(C)C)CC2)c(ccc(c1)F)OC
• Canonical SMILES: COc1ccc(cc1C(=O)N1CCC(CC1)c1nccn1CCN(C)C)F
• InChI: InChI=1S/C20H27FN4O2/c1-23(2)12-13-24-11-8-22-19(24)15-6-9-25(10-7-15)20(26)17-14-16(21)4-5-18(17)27-3/h4-5,8,11,14-15H,6-7,9-10,12-13H2,1-3H3
• InChIKey: BOXAECGKPBAQAI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-{2-[1-(5-fluoro-2-methoxybenzoyl)piperidin-4-yl]-1H-imidazol-1-yl}ethyl)dimethylamine
• IUPAC Traditional name: (2-{2-[1-(5-fluoro-2-methoxybenzoyl)piperidin-4-yl]imidazol-1-yl}ethyl)dimethylamine
• Synonyms: (2-{2-[1-(5-fluoro-2-methoxybenzoyl)piperidin-4-yl]-1H-imidazol-1-yl}ethyl)dimethylamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.7232494
• LogD (pH = 7.4): 0.24168473
• Log P: 1.7728864
• Molar Refractivity: 103.7169 cm^3
• Polarizability: 39.05833 Å^3
• Polar Surface Area: 50.6 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.34
• LOG S: -3.07
• Polar Surface Area: 50.6 Å^2
• Rotatable Bonds: 6