4-{2-[2-(2-methoxynaphthalen-1-yl)-1H-imidazol-1-yl]ethyl}morpholine

• ChemBase ID: 320914
• Molecular Formular: C20H23N3O2
• Molecular Mass: 337.41552
• Monoisotopic Mass: 337.17902699
• SMILES: c1(c2c3c(ccc2OC)cccc3)n(ccn1)CCN1CCOCC1
• Canonical SMILES: COc1ccc2c(c1c1nccn1CCN1CCOCC1)cccc2
• InChI: InChI=1S/C20H23N3O2/c1-24-18-7-6-16-4-2-3-5-17(16)19(18)20-21-8-9-23(20)11-10-22-12-14-25-15-13-22/h2-9H,10-15H2,1H3
• InChIKey: FCLLCRWQVNSHEX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{2-[2-(2-methoxynaphthalen-1-yl)-1H-imidazol-1-yl]ethyl}morpholine
• IUPAC Traditional name: 4-{2-[2-(2-methoxynaphthalen-1-yl)imidazol-1-yl]ethyl}morpholine
• Synonyms: 4-{2-[2-(2-methoxy-1-naphthyl)-1H-imidazol-1-yl]ethyl}morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.8658633
• LogD (pH = 7.4): 2.5340598
• Log P: 2.7351716
• Molar Refractivity: 109.0181 cm^3
• Polarizability: 39.937313 Å^3
• Polar Surface Area: 39.52 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.22
• LOG S: -2.55
• Polar Surface Area: 39.52 Å^2
• Rotatable Bonds: 5