1-(3-methoxypropyl)-2-(naphthalen-1-yl)-1H-imidazole

• ChemBase ID: 561915
• Molecular Formular: C17H18N2O
• Molecular Mass: 266.33762
• Monoisotopic Mass: 266.14191321
• SMILES: c1(c2c3c(ccc2)cccc3)n(ccn1)CCCOC
• Canonical SMILES: COCCCn1ccnc1c1cccc2c1cccc2
• InChI: InChI=1S/C17H18N2O/c1-20-13-5-11-19-12-10-18-17(19)16-9-4-7-14-6-2-3-8-15(14)16/h2-4,6-10,12H,5,11,13H2,1H3
• InChIKey: WPSUWZCBPNHWHW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(3-methoxypropyl)-2-(naphthalen-1-yl)-1H-imidazole
• IUPAC Traditional name: 1-(3-methoxypropyl)-2-(naphthalen-1-yl)imidazole
• Synonyms: 1-(3-methoxypropyl)-2-(1-naphthyl)-1H-imidazole

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.563709
• LogD (pH = 7.4): 3.0884933
• Log P: 3.105683
• Molar Refractivity: 91.3702 cm^3
• Polarizability: 32.992115 Å^3
• Polar Surface Area: 27.05 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 2.96
• LOG S: -3.67
• Polar Surface Area: 27.05 Å^2
• Rotatable Bonds: 5