N-(4-fluoro-2-methylphenyl)-3-[2-(quinolin-4-yl)-1H-imidazol-1-yl]propanamide

• ChemBase ID: 545922
• Molecular Formular: C22H19FN4O
• Molecular Mass: 374.4108632
• Monoisotopic Mass: 374.15428947
• SMILES: c1(n(ccn1)CCC(=O)Nc1c(cc(cc1)F)C)c1c2c(ncc1)cccc2
• Canonical SMILES: O=C(Nc1ccc(cc1C)F)CCn1ccnc1c1ccnc2c1cccc2
• InChI: InChI=1S/C22H19FN4O/c1-15-14-16(23)6-7-19(15)26-21(28)9-12-27-13-11-25-22(27)18-8-10-24-20-5-3-2-4-17(18)20/h2-8,10-11,13-14H,9,12H2,1H3,(H,26,28)
• InChIKey: DBBYPOLWLAYQHU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-fluoro-2-methylphenyl)-3-[2-(quinolin-4-yl)-1H-imidazol-1-yl]propanamide
• IUPAC Traditional name: N-(4-fluoro-2-methylphenyl)-3-[2-(quinolin-4-yl)imidazol-1-yl]propanamide
• Synonyms: N-(4-fluoro-2-methylphenyl)-3-(2-quinolin-4-yl-1H-imidazol-1-yl)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.545294
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.5426307
• LogD (pH = 7.4): 4.050617
• Log P: 4.066298
• Molar Refractivity: 117.2513 cm^3
• Polarizability: 41.762394 Å^3
• Polar Surface Area: 59.81 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.62
• LOG S: -5.02
• Polar Surface Area: 59.81 Å^2
• Rotatable Bonds: 5