2-(furan-3-yl)-1-[2-(2-methoxyphenyl)ethyl]-1H-imidazole

• ChemBase ID: 598278
• Molecular Formular: C16H16N2O2
• Molecular Mass: 268.31044
• Monoisotopic Mass: 268.12117776
• SMILES: c1(c2cocc2)n(ccn1)CCc1c(OC)cccc1
• Canonical SMILES: COc1ccccc1CCn1ccnc1c1ccoc1
• InChI: InChI=1S/C16H16N2O2/c1-19-15-5-3-2-4-13(15)6-9-18-10-8-17-16(18)14-7-11-20-12-14/h2-5,7-8,10-12H,6,9H2,1H3
• InChIKey: CVUIXJIMYKGHQM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(furan-3-yl)-1-[2-(2-methoxyphenyl)ethyl]-1H-imidazole
• IUPAC Traditional name: 2-(furan-3-yl)-1-[2-(2-methoxyphenyl)ethyl]imidazole
• Synonyms: 2-(3-furyl)-1-[2-(2-methoxyphenyl)ethyl]-1H-imidazole

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.6764846
• LogD (pH = 7.4): 3.0884812
• Log P: 3.0989306
• Molar Refractivity: 87.3553 cm^3
• Polarizability: 29.91735 Å^3
• Polar Surface Area: 40.19 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.77
• LOG S: -3.52
• Polar Surface Area: 40.19 Å^2
• Rotatable Bonds: 5