5-[1-(2,5-dimethoxyphenyl)-1H-imidazol-2-yl]-2-(propan-2-yl)pyrimidine

• ChemBase ID: 448573
• Molecular Formular: C18H20N4O2
• Molecular Mass: 324.377
• Monoisotopic Mass: 324.1586259
• SMILES: n1(c(c2cnc(nc2)C(C)C)ncc1)c1cc(ccc1OC)OC
• Canonical SMILES: COc1ccc(cc1n1ccnc1c1cnc(nc1)C(C)C)OC
• InChI: InChI=1S/C18H20N4O2/c1-12(2)17-20-10-13(11-21-17)18-19-7-8-22(18)15-9-14(23-3)5-6-16(15)24-4/h5-12H,1-4H3
• InChIKey: QWSYPFHTIHYNNF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-[1-(2,5-dimethoxyphenyl)-1H-imidazol-2-yl]-2-(propan-2-yl)pyrimidine
• IUPAC Traditional name: 5-[1-(2,5-dimethoxyphenyl)imidazol-2-yl]-2-isopropylpyrimidine
• Synonyms: 5-[1-(2,5-dimethoxyphenyl)-1H-imidazol-2-yl]-2-isopropylpyrimidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.8935854
• LogD (pH = 7.4): 3.1266007
• Log P: 3.1307652
• Molar Refractivity: 112.5245 cm^3
• Polarizability: 36.388706 Å^3
• Polar Surface Area: 62.06 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 3.45
• LOG S: -4.51
• Polar Surface Area: 62.06 Å^2
• Rotatable Bonds: 5