1-ethoxy-3-[4-phenyl-5-(1-propyl-1H-imidazol-2-yl)-1H-imidazol-1-yl]propan-2-ol

• ChemBase ID: 500786
• Molecular Formular: C20H26N4O2
• Molecular Mass: 354.44604
• Monoisotopic Mass: 354.20557609
• SMILES: c1(n(cnc1c1ccccc1)CC(O)COCC)c1n(ccn1)CCC
• Canonical SMILES: CCOCC(Cn1cnc(c1c1nccn1CCC)c1ccccc1)O
• InChI: InChI=1S/C20H26N4O2/c1-3-11-23-12-10-21-20(23)19-18(16-8-6-5-7-9-16)22-15-24(19)13-17(25)14-26-4-2/h5-10,12,15,17,25H,3-4,11,13-14H2,1-2H3
• InChIKey: SQUUVBSWEXQAKB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-ethoxy-3-[4-phenyl-5-(1-propyl-1H-imidazol-2-yl)-1H-imidazol-1-yl]propan-2-ol
• IUPAC Traditional name: 1-ethoxy-3-[4-phenyl-5-(1-propylimidazol-2-yl)imidazol-1-yl]propan-2-ol
• Synonyms: 1-ethoxy-3-(5'-phenyl-1-propyl-1H,3'H-2,4'-biimidazol-3'-yl)propan-2-ol

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.995562
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.415688
• LogD (pH = 7.4): 2.7145736
• Log P: 2.7203329
• Molar Refractivity: 112.5315 cm^3
• Polarizability: 41.07378 Å^3
• Polar Surface Area: 65.1 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.97
• LOG S: -5.17
• Polar Surface Area: 65.1 Å^2
• Rotatable Bonds: 9