3-{4-[1-(2-methoxyethyl)-1H-imidazol-2-yl]piperidin-1-yl}-2,5-dimethylpyrazine

• ChemBase ID: 694806
• Molecular Formular: C17H25N5O
• Molecular Mass: 315.4133
• Monoisotopic Mass: 315.20591045
• SMILES: c1(N2CCC(c3n(ccn3)CCOC)CC2)nc(cnc1C)C
• Canonical SMILES: COCCn1ccnc1C1CCN(CC1)c1nc(C)cnc1C
• InChI: InChI=1S/C17H25N5O/c1-13-12-19-14(2)16(20-13)21-7-4-15(5-8-21)17-18-6-9-22(17)10-11-23-3/h6,9,12,15H,4-5,7-8,10-11H2,1-3H3
• InChIKey: SRPXVFZKYKPXEX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-{4-[1-(2-methoxyethyl)-1H-imidazol-2-yl]piperidin-1-yl}-2,5-dimethylpyrazine
• IUPAC Traditional name: 3-{4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl}-2,5-dimethylpyrazine
• Synonyms: 3-{4-[1-(2-methoxyethyl)-1H-imidazol-2-yl]piperidin-1-yl}-2,5-dimethylpyrazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 0.0023112334
• LogD (pH = 7.4): 0.8209386
• Log P: 0.9541401
• Molar Refractivity: 90.8012 cm^3
• Polarizability: 34.15621 Å^3
• Polar Surface Area: 56.07 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.34
• LOG S: -2.65
• Polar Surface Area: 56.07 Å^2
• Rotatable Bonds: 5