1-(2-methoxyethyl)-2-(5-propylfuran-2-yl)-1H-imidazole

• ChemBase ID: 433199
• Molecular Formular: C13H18N2O2
• Molecular Mass: 234.29422
• Monoisotopic Mass: 234.13682783
• SMILES: c1(c2oc(cc2)CCC)n(ccn1)CCOC
• Canonical SMILES: CCCc1ccc(o1)c1nccn1CCOC
• InChI: InChI=1S/C13H18N2O2/c1-3-4-11-5-6-12(17-11)13-14-7-8-15(13)9-10-16-2/h5-8H,3-4,9-10H2,1-2H3
• InChIKey: SMFRXBUKDATSIG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-methoxyethyl)-2-(5-propylfuran-2-yl)-1H-imidazole
• IUPAC Traditional name: 1-(2-methoxyethyl)-2-(5-propylfuran-2-yl)imidazole
• Synonyms: 1-(2-methoxyethyl)-2-(5-propyl-2-furyl)-1H-imidazole

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.1884892
• LogD (pH = 7.4): 2.2817862
• Log P: 2.2831457
• Molar Refractivity: 76.7202 cm^3
• Polarizability: 25.865679 Å^3
• Polar Surface Area: 40.19 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.83
• LOG S: -2.47
• Polar Surface Area: 40.19 Å^2
• Rotatable Bonds: 6