3-[1-(3-ethoxypropyl)-1H-imidazol-2-yl]pyridine

• ChemBase ID: 839818
• Molecular Formular: C13H17N3O
• Molecular Mass: 231.29358
• Monoisotopic Mass: 231.13716218
• SMILES: c1(n(ccn1)CCCOCC)c1cnccc1
• Canonical SMILES: CCOCCCn1ccnc1c1cccnc1
• InChI: InChI=1S/C13H17N3O/c1-2-17-10-4-8-16-9-7-15-13(16)12-5-3-6-14-11-12/h3,5-7,9,11H,2,4,8,10H2,1H3
• InChIKey: MFZWNSOWMZCWID-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[1-(3-ethoxypropyl)-1H-imidazol-2-yl]pyridine
• IUPAC Traditional name: 3-[1-(3-ethoxypropyl)imidazol-2-yl]pyridine
• Synonyms: 3-[1-(3-ethoxypropyl)-1H-imidazol-2-yl]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.7718147
• LogD (pH = 7.4): 1.2421151
• Log P: 1.2553419
• Molar Refractivity: 77.5117 cm^3
• Polarizability: 26.334524 Å^3
• Polar Surface Area: 39.94 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.18
• LOG S: -1.9
• Polar Surface Area: 39.94 Å^2
• Rotatable Bonds: 6