1-[2-(4-phenoxyphenyl)ethyl]-1H-imidazole

• ChemBase ID: 577047
• Molecular Formular: C17H16N2O
• Molecular Mass: 264.32174
• Monoisotopic Mass: 264.12626314
• SMILES: n1cn(cc1)CCc1ccc(Oc2ccccc2)cc1
• Canonical SMILES: c1ccc(cc1)Oc1ccc(cc1)CCn1ccnc1
• InChI: InChI=1S/C17H16N2O/c1-2-4-16(5-3-1)20-17-8-6-15(7-9-17)10-12-19-13-11-18-14-19/h1-9,11,13-14H,10,12H2
• InChIKey: RNJGSNJFTCCONG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[2-(4-phenoxyphenyl)ethyl]-1H-imidazole
• IUPAC Traditional name: 1-[2-(4-phenoxyphenyl)ethyl]imidazole
• Synonyms: 1-[2-(4-phenoxyphenyl)ethyl]-1H-imidazole

CALCULATED PROPERTIES

JChem

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.0592895
• LogD (pH = 7.4): 3.5235016
• Log P: 3.5918734
• Molar Refractivity: 79.5179 cm^3
• Polarizability: 30.609276 Å^3
• Polar Surface Area: 27.05 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 3.7
• LOG S: -4.29
• Polar Surface Area: 27.05 Å^2
• Rotatable Bonds: 5