4-{1-[2-(2,4-dimethoxyphenyl)-1H-imidazol-1-yl]propyl}pyridine

• ChemBase ID: 818899
• Molecular Formular: C19H21N3O2
• Molecular Mass: 323.38894
• Monoisotopic Mass: 323.16337693
• SMILES: c1(n(C(c2ccncc2)CC)ccn1)c1c(cc(cc1)OC)OC
• Canonical SMILES: CCC(n1ccnc1c1ccc(cc1OC)OC)c1ccncc1
• InChI: InChI=1S/C19H21N3O2/c1-4-17(14-7-9-20-10-8-14)22-12-11-21-19(22)16-6-5-15(23-2)13-18(16)24-3/h5-13,17H,4H2,1-3H3
• InChIKey: WOSIZTJBBAFQBI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{1-[2-(2,4-dimethoxyphenyl)-1H-imidazol-1-yl]propyl}pyridine
• IUPAC Traditional name: 4-{1-[2-(2,4-dimethoxyphenyl)imidazol-1-yl]propyl}pyridine
• Synonyms: 4-{1-[2-(2,4-dimethoxyphenyl)-1H-imidazol-1-yl]propyl}pyridine

CALCULATED PROPERTIES

供应商提供(Chembridge)

• H Donor: 0
• Log P: 2.44
• LOG S: -2.34
• Polar Surface Area: 49.17 Å^2
• Rotatable Bonds: 6
• H Acceptors: 4

JChem

• LogD (pH = 5.5): 2.5770135
• LogD (pH = 7.4): 3.2189338
• Log P: 3.2337778
• Molar Refractivity: 103.336 cm^3
• Polarizability: 36.586452 Å^3
• Polar Surface Area: 49.17 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true
• H Acceptors: 4
• H Donor: 0