3-{5-[1-(4-methoxyphenyl)-1H-imidazol-2-yl]-4-phenyl-1H-imidazol-1-yl}propan-1-ol

• ChemBase ID: 501400
• Molecular Formular: C22H22N4O2
• Molecular Mass: 374.43568
• Monoisotopic Mass: 374.17427596
• SMILES: c1(c2n(c3ccc(cc3)OC)ccn2)c(ncn1CCCO)c1ccccc1
• Canonical SMILES: OCCCn1cnc(c1c1nccn1c1ccc(cc1)OC)c1ccccc1
• InChI: InChI=1S/C22H22N4O2/c1-28-19-10-8-18(9-11-19)26-14-12-23-22(26)21-20(17-6-3-2-4-7-17)24-16-25(21)13-5-15-27/h2-4,6-12,14,16,27H,5,13,15H2,1H3
• InChIKey: YMMNTRVOARGUEN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-{5-[1-(4-methoxyphenyl)-1H-imidazol-2-yl]-4-phenyl-1H-imidazol-1-yl}propan-1-ol
• IUPAC Traditional name: 3-{5-[1-(4-methoxyphenyl)imidazol-2-yl]-4-phenylimidazol-1-yl}propan-1-ol
• Synonyms: 3-[1-(4-methoxyphenyl)-5'-phenyl-1H,3'H-2,4'-biimidazol-3'-yl]propan-1-ol

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.923077
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.8337333
• LogD (pH = 7.4): 3.028478
• Log P: 3.0316498
• Molar Refractivity: 129.2221 cm^3
• Polarizability: 44.07959 Å^3
• Polar Surface Area: 65.1 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.1
• LOG S: -4.58
• Polar Surface Area: 65.1 Å^2
• Rotatable Bonds: 7