5-cyclopropyl-1-[4-(furan-2-yl)butan-2-yl]-4-phenyl-1H-imidazole

• ChemBase ID: 782360
• Molecular Formular: C20H22N2O
• Molecular Mass: 306.40148
• Monoisotopic Mass: 306.17321333
• SMILES: c1(n(cnc1c1ccccc1)C(CCc1occc1)C)C1CC1
• Canonical SMILES: CC(n1cnc(c1C1CC1)c1ccccc1)CCc1ccco1
• InChI: InChI=1S/C20H22N2O/c1-15(9-12-18-8-5-13-23-18)22-14-21-19(20(22)17-10-11-17)16-6-3-2-4-7-16/h2-8,13-15,17H,9-12H2,1H3
• InChIKey: MKLVNJGQFLQXAW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-cyclopropyl-1-[4-(furan-2-yl)butan-2-yl]-4-phenyl-1H-imidazole
• IUPAC Traditional name: 5-cyclopropyl-1-[4-(furan-2-yl)butan-2-yl]-4-phenylimidazole
• Synonyms: 5-cyclopropyl-1-[3-(2-furyl)-1-methylpropyl]-4-phenyl-1H-imidazole

CALCULATED PROPERTIES

JChem

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.959114
• LogD (pH = 7.4): 4.495136
• Log P: 4.5134754
• Molar Refractivity: 91.9491 cm^3
• Polarizability: 36.52116 Å^3
• Polar Surface Area: 30.96 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 4.46
• LOG S: -5.24
• Polar Surface Area: 30.96 Å^2
• Rotatable Bonds: 6