2-[5-methoxy-2-(1H-pyrazol-1-yl)phenyl]-1-(3-methoxypropyl)-1H-imidazole

• ChemBase ID: 830814
• Molecular Formular: C17H20N4O2
• Molecular Mass: 312.3663
• Monoisotopic Mass: 312.1586259
• SMILES: c1(c2n(ccn2)CCCOC)c(n2nccc2)ccc(c1)OC
• Canonical SMILES: COCCCn1ccnc1c1cc(OC)ccc1n1cccn1
• InChI: InChI=1S/C17H20N4O2/c1-22-12-4-9-20-11-8-18-17(20)15-13-14(23-2)5-6-16(15)21-10-3-7-19-21/h3,5-8,10-11,13H,4,9,12H2,1-2H3
• InChIKey: ZJFKRYQUSIMBPZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[5-methoxy-2-(1H-pyrazol-1-yl)phenyl]-1-(3-methoxypropyl)-1H-imidazole
• IUPAC Traditional name: 2-[5-methoxy-2-(pyrazol-1-yl)phenyl]-1-(3-methoxypropyl)imidazole
• Synonyms: 1-{4-methoxy-2-[1-(3-methoxypropyl)-1H-imidazol-2-yl]phenyl}-1H-pyrazole

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.576485
• LogD (pH = 7.4): 2.0316904
• Log P: 2.0443535
• Molar Refractivity: 99.7449 cm^3
• Polarizability: 34.98322 Å^3
• Polar Surface Area: 54.1 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.21
• LOG S: -3.37
• Polar Surface Area: 54.1 Å^2
• Rotatable Bonds: 7