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

• ChemBase ID: 824458
• Molecular Formular: C17H20N4O2
• Molecular Mass: 312.3663
• Monoisotopic Mass: 312.1586259
• SMILES: c1(c2n(ccn2)C(C)C)n(c2cc(ccc2OC)OC)ccn1
• Canonical SMILES: COc1ccc(cc1n1ccnc1c1nccn1C(C)C)OC
• InChI: InChI=1S/C17H20N4O2/c1-12(2)20-9-7-18-16(20)17-19-8-10-21(17)14-11-13(22-3)5-6-15(14)23-4/h5-12H,1-4H3
• InChIKey: GRKCIHGKOJBOKD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2,5-dimethoxyphenyl)-2-[1-(propan-2-yl)-1H-imidazol-2-yl]-1H-imidazole
• IUPAC Traditional name: 1-(2,5-dimethoxyphenyl)-2-(1-isopropylimidazol-2-yl)imidazole
• Synonyms: 1-(2,5-dimethoxyphenyl)-1'-isopropyl-1H,1'H-2,2'-biimidazole

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.6169882
• LogD (pH = 7.4): 2.700772
• Log P: 2.701972
• Molar Refractivity: 119.0187 cm^3
• Polarizability: 34.30506 Å^3
• Polar Surface Area: 54.1 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.64
• LOG S: -4.59
• Polar Surface Area: 54.1 Å^2
• Rotatable Bonds: 5