5-[2-(oxolan-3-yl)-1H-imidazol-1-yl]-N-phenylpyridin-2-amine

• ChemBase ID: 452972
• Molecular Formular: C18H18N4O
• Molecular Mass: 306.36172
• Monoisotopic Mass: 306.14806122
• SMILES: c1(n(c2cnc(Nc3ccccc3)cc2)ccn1)C1COCC1
• Canonical SMILES: c1ccc(cc1)Nc1ccc(cn1)n1ccnc1C1CCOC1
• InChI: InChI=1S/C18H18N4O/c1-2-4-15(5-3-1)21-17-7-6-16(12-20-17)22-10-9-19-18(22)14-8-11-23-13-14/h1-7,9-10,12,14H,8,11,13H2,(H,20,21)
• InChIKey: LHPYICLYYRXIIA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-[2-(oxolan-3-yl)-1H-imidazol-1-yl]-N-phenylpyridin-2-amine
• IUPAC Traditional name: 5-[2-(oxolan-3-yl)imidazol-1-yl]-N-phenylpyridin-2-amine
• Synonyms: N-phenyl-5-[2-(tetrahydrofuran-3-yl)-1H-imidazol-1-yl]pyridin-2-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 18.235718
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.9113944
• LogD (pH = 7.4): 2.763632
• Log P: 2.8085306
• Molar Refractivity: 99.0856 cm^3
• Polarizability: 34.50258 Å^3
• Polar Surface Area: 51.97 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.34
• LOG S: -3.43
• Polar Surface Area: 51.97 Å^2
• Rotatable Bonds: 4