4-{1-[2-(2-hydroxyethoxy)ethyl]-4-phenyl-1H-imidazol-5-yl}-2-methoxy-6-(prop-2-en-1-yl)phenol

• ChemBase ID: 315464
• Molecular Formular: C23H26N2O4
• Molecular Mass: 394.46354
• Monoisotopic Mass: 394.18925732
• SMILES: n1c(c(c2cc(c(c(c2)CC=C)O)OC)n(c1)CCOCCO)c1ccccc1
• Canonical SMILES: OCCOCCn1cnc(c1c1cc(OC)c(c(c1)CC=C)O)c1ccccc1
• InChI: InChI=1S/C23H26N2O4/c1-3-7-18-14-19(15-20(28-2)23(18)27)22-21(17-8-5-4-6-9-17)24-16-25(22)10-12-29-13-11-26/h3-6,8-9,14-16,26-27H,1,7,10-13H2,2H3
• InChIKey: MYCRDBLXOTVABP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{1-[2-(2-hydroxyethoxy)ethyl]-4-phenyl-1H-imidazol-5-yl}-2-methoxy-6-(prop-2-en-1-yl)phenol
• IUPAC Traditional name: 4-{3-[2-(2-hydroxyethoxy)ethyl]-5-phenylimidazol-4-yl}-2-methoxy-6-(prop-2-en-1-yl)phenol
• Synonyms: 2-allyl-4-{1-[2-(2-hydroxyethoxy)ethyl]-4-phenyl-1H-imidazol-5-yl}-6-methoxyphenol

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.633292
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 3.3380969
• LogD (pH = 7.4): 3.5721445
• Log P: 3.5790107
• Molar Refractivity: 113.7546 cm^3
• Polarizability: 46.067055 Å^3
• Polar Surface Area: 76.74 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 3.19
• LOG S: -4.8
• Polar Surface Area: 76.74 Å^2
• Rotatable Bonds: 10