4-{[2-(furan-2-yl)-1H-imidazol-1-yl](4-methylphenyl)methyl}pyridine

• ChemBase ID: 788605
• Molecular Formular: C20H17N3O
• Molecular Mass: 315.36848
• Monoisotopic Mass: 315.13716218
• SMILES: n1(c(ncc1)c1occc1)C(c1ccc(cc1)C)c1ccncc1
• Canonical SMILES: Cc1ccc(cc1)C(n1ccnc1c1ccco1)c1ccncc1
• InChI: InChI=1S/C20H17N3O/c1-15-4-6-16(7-5-15)19(17-8-10-21-11-9-17)23-13-12-22-20(23)18-3-2-14-24-18/h2-14,19H,1H3
• InChIKey: YUCOCTMVAPXUDM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{[2-(furan-2-yl)-1H-imidazol-1-yl](4-methylphenyl)methyl}pyridine
• IUPAC Traditional name: 4-{[2-(furan-2-yl)imidazol-1-yl](4-methylphenyl)methyl}pyridine
• Synonyms: 4-[[2-(2-furyl)-1H-imidazol-1-yl](4-methylphenyl)methyl]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.755503
• LogD (pH = 7.4): 3.9646854
• Log P: 3.967931
• Molar Refractivity: 103.1817 cm^3
• Polarizability: 36.11507 Å^3
• Polar Surface Area: 43.85 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: 2.77
• LOG S: -2.57
• Polar Surface Area: 43.85 Å^2
• Rotatable Bonds: 4