1-{[2-(2-methyl-1H-imidazol-1-yl)phenyl]methyl}-2-(oxolan-3-yl)-1H-imidazole

• ChemBase ID: 709991
• Molecular Formular: C18H20N4O
• Molecular Mass: 308.3776
• Monoisotopic Mass: 308.16371128
• SMILES: n1(c(ncc1)C)c1c(Cn2c(ncc2)C2COCC2)cccc1
• Canonical SMILES: Cc1nccn1c1ccccc1Cn1ccnc1C1COCC1
• InChI: InChI=1S/C18H20N4O/c1-14-19-8-10-22(14)17-5-3-2-4-15(17)12-21-9-7-20-18(21)16-6-11-23-13-16/h2-5,7-10,16H,6,11-13H2,1H3
• InChIKey: UUSYODMGLVGIEB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{[2-(2-methyl-1H-imidazol-1-yl)phenyl]methyl}-2-(oxolan-3-yl)-1H-imidazole
• IUPAC Traditional name: 1-{[2-(2-methylimidazol-1-yl)phenyl]methyl}-2-(oxolan-3-yl)imidazole
• Synonyms: 2-methyl-1-(2-{[2-(tetrahydrofuran-3-yl)-1H-imidazol-1-yl]methyl}phenyl)-1H-imidazole

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.111798026
• LogD (pH = 7.4): 1.7288487
• Log P: 1.9445635
• Molar Refractivity: 99.3476 cm^3
• Polarizability: 34.59837 Å^3
• Polar Surface Area: 44.87 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.43
• LOG S: -2.67
• Polar Surface Area: 44.87 Å^2
• Rotatable Bonds: 4