3-(4-{[1-(4-methoxyphenyl)-1H-imidazol-2-yl]methyl}piperazin-1-yl)-6-methylpyridazine

• ChemBase ID: 578922
• Molecular Formular: C20H24N6O
• Molecular Mass: 364.44416
• Monoisotopic Mass: 364.20115942
• SMILES: c1(n(c2ccc(cc2)OC)ccn1)CN1CCN(c2nnc(cc2)C)CC1
• Canonical SMILES: COc1ccc(cc1)n1ccnc1CN1CCN(CC1)c1ccc(nn1)C
• InChI: InChI=1S/C20H24N6O/c1-16-3-8-19(23-22-16)25-13-11-24(12-14-25)15-20-21-9-10-26(20)17-4-6-18(27-2)7-5-17/h3-10H,11-15H2,1-2H3
• InChIKey: XQWHPPCRTRKFLK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(4-{[1-(4-methoxyphenyl)-1H-imidazol-2-yl]methyl}piperazin-1-yl)-6-methylpyridazine
• IUPAC Traditional name: 3-(4-{[1-(4-methoxyphenyl)imidazol-2-yl]methyl}piperazin-1-yl)-6-methylpyridazine
• Synonyms: 3-(4-{[1-(4-methoxyphenyl)-1H-imidazol-2-yl]methyl}piperazin-1-yl)-6-methylpyridazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 1.1367558
• LogD (pH = 7.4): 1.835187
• Log P: 1.8599274
• Molar Refractivity: 117.4993 cm^3
• Polarizability: 40.64625 Å^3
• Polar Surface Area: 59.31 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: 1.54
• LOG S: -2.17
• Polar Surface Area: 59.31 Å^2
• Rotatable Bonds: 5