N-{4-[2-(3-fluoropyridin-4-yl)-1H-imidazol-1-yl]phenyl}-5-methylfuran-2-carboxamide

• ChemBase ID: 469039
• Molecular Formular: C20H15FN4O2
• Molecular Mass: 362.3571032
• Monoisotopic Mass: 362.11790396
• SMILES: c1(n(c2ccc(NC(=O)c3oc(cc3)C)cc2)ccn1)c1c(F)cncc1
• Canonical SMILES: Cc1ccc(o1)C(=O)Nc1ccc(cc1)n1ccnc1c1ccncc1F
• InChI: InChI=1S/C20H15FN4O2/c1-13-2-7-18(27-13)20(26)24-14-3-5-15(6-4-14)25-11-10-23-19(25)16-8-9-22-12-17(16)21/h2-12H,1H3,(H,24,26)
• InChIKey: LHVOMMUEGUHFSU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{4-[2-(3-fluoropyridin-4-yl)-1H-imidazol-1-yl]phenyl}-5-methylfuran-2-carboxamide
• IUPAC Traditional name: N-{4-[2-(3-fluoropyridin-4-yl)imidazol-1-yl]phenyl}-5-methylfuran-2-carboxamide
• Synonyms: N-{4-[2-(3-fluoropyridin-4-yl)-1H-imidazol-1-yl]phenyl}-5-methyl-2-furamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.371656
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.8227692
• LogD (pH = 7.4): 3.0341942
• Log P: 3.0379028
• Molar Refractivity: 120.2416 cm^3
• Polarizability: 37.689777 Å^3
• Polar Surface Area: 72.95 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.4
• LOG S: -4.75
• Polar Surface Area: 72.95 Å^2
• Rotatable Bonds: 4