1-(2-methoxyethyl)-2-{[3-(methoxymethyl)pyrrolidin-1-yl]methyl}-1H-imidazole

• ChemBase ID: 673756
• Molecular Formular: C13H23N3O2
• Molecular Mass: 253.34062
• Monoisotopic Mass: 253.17902699
• SMILES: c1(n(ccn1)CCOC)CN1CC(CC1)COC
• Canonical SMILES: COCCn1ccnc1CN1CCC(C1)COC
• InChI: InChI=1S/C13H23N3O2/c1-17-8-7-16-6-4-14-13(16)10-15-5-3-12(9-15)11-18-2/h4,6,12H,3,5,7-11H2,1-2H3
• InChIKey: ZPMCXBNVANAMCU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-methoxyethyl)-2-{[3-(methoxymethyl)pyrrolidin-1-yl]methyl}-1H-imidazole
• IUPAC Traditional name: 1-(2-methoxyethyl)-2-{[3-(methoxymethyl)pyrrolidin-1-yl]methyl}imidazole
• Synonyms: 1-(2-methoxyethyl)-2-{[3-(methoxymethyl)pyrrolidin-1-yl]methyl}-1H-imidazole

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.9501058
• LogD (pH = 7.4): -0.36130482
• Log P: 0.06481448
• Molar Refractivity: 71.4164 cm^3
• Polarizability: 27.661705 Å^3
• Polar Surface Area: 39.52 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: -0.01
• LOG S: -0.03
• Polar Surface Area: 39.52 Å^2
• Rotatable Bonds: 7