2-[2-(furan-2-yl)phenyl]-1-(thiolan-3-yl)-1H-imidazole

• ChemBase ID: 653630
• Molecular Formular: C17H16N2OS
• Molecular Mass: 296.38674
• Monoisotopic Mass: 296.09833414
• SMILES: c1(n(ccn1)C1CCSC1)c1c(c2occc2)cccc1
• Canonical SMILES: C1SCC(C1)n1ccnc1c1ccccc1c1ccco1
• InChI: InChI=1S/C17H16N2OS/c1-2-5-15(14(4-1)16-6-3-10-20-16)17-18-8-9-19(17)13-7-11-21-12-13/h1-6,8-10,13H,7,11-12H2
• InChIKey: FIUXZLODVDELRW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[2-(furan-2-yl)phenyl]-1-(thiolan-3-yl)-1H-imidazole
• IUPAC Traditional name: 2-[2-(furan-2-yl)phenyl]-1-(thiolan-3-yl)imidazole
• Synonyms: 2-[2-(2-furyl)phenyl]-1-(tetrahydro-3-thienyl)-1H-imidazole

CALCULATED PROPERTIES

JChem

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.9527946
• LogD (pH = 7.4): 3.43333
• Log P: 3.447487
• Molar Refractivity: 96.2799 cm^3
• Polarizability: 34.8961 Å^3
• Polar Surface Area: 30.96 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 2.95
• LOG S: -3.88
• Polar Surface Area: 30.96 Å^2
• Rotatable Bonds: 3