7-[1-(2-ethoxyethyl)-4-phenyl-1H-imidazol-5-yl]-4-methyl-2H-chromen-2-one

• ChemBase ID: 547195
• Molecular Formular: C23H22N2O3
• Molecular Mass: 374.43238
• Monoisotopic Mass: 374.16304257
• SMILES: n1c(c(c2cc3oc(=O)cc(c3cc2)C)n(c1)CCOCC)c1ccccc1
• Canonical SMILES: CCOCCn1cnc(c1c1ccc2c(c1)oc(=O)cc2C)c1ccccc1
• InChI: InChI=1S/C23H22N2O3/c1-3-27-12-11-25-15-24-22(17-7-5-4-6-8-17)23(25)18-9-10-19-16(2)13-21(26)28-20(19)14-18/h4-10,13-15H,3,11-12H2,1-2H3
• InChIKey: BGTANKHXNKUUMC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-[1-(2-ethoxyethyl)-4-phenyl-1H-imidazol-5-yl]-4-methyl-2H-chromen-2-one
• IUPAC Traditional name: 7-[3-(2-ethoxyethyl)-5-phenylimidazol-4-yl]-4-methylchromen-2-one
• Synonyms: 7-[1-(2-ethoxyethyl)-4-phenyl-1H-imidazol-5-yl]-4-methyl-2H-chromen-2-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.868683
• LogD (pH = 7.4): 4.094039
• Log P: 4.098095
• Molar Refractivity: 109.2521 cm^3
• Polarizability: 44.282623 Å^3
• Polar Surface Area: 53.35 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.67
• LOG S: -5.06
• Polar Surface Area: 57.26 Å^2
• Rotatable Bonds: 6