N-[3-(furan-2-yl)propyl]-2-(2-phenyl-1H-imidazol-1-yl)acetamide

• ChemBase ID: 446289
• Molecular Formular: C18H19N3O2
• Molecular Mass: 309.36236
• Monoisotopic Mass: 309.14772686
• SMILES: n1(c(ncc1)c1ccccc1)CC(=O)NCCCc1occc1
• Canonical SMILES: O=C(Cn1ccnc1c1ccccc1)NCCCc1ccco1
• InChI: InChI=1S/C18H19N3O2/c22-17(19-10-4-8-16-9-5-13-23-16)14-21-12-11-20-18(21)15-6-2-1-3-7-15/h1-3,5-7,9,11-13H,4,8,10,14H2,(H,19,22)
• InChIKey: SROYGKGSQUNFHJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(furan-2-yl)propyl]-2-(2-phenyl-1H-imidazol-1-yl)acetamide
• IUPAC Traditional name: N-[3-(furan-2-yl)propyl]-2-(2-phenylimidazol-1-yl)acetamide
• Synonyms: N-[3-(2-furyl)propyl]-2-(2-phenyl-1H-imidazol-1-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.097242
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.7975928
• LogD (pH = 7.4): 2.3412948
• Log P: 2.359981
• Molar Refractivity: 98.3281 cm^3
• Polarizability: 34.278103 Å^3
• Polar Surface Area: 60.06 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.16
• LOG S: -3.3
• Polar Surface Area: 60.06 Å^2
• Rotatable Bonds: 7