(2-{2-[1-(3-ethoxybenzoyl)piperidin-3-yl]-1H-imidazol-1-yl}ethyl)dimethylamine

• ChemBase ID: 856844
• Molecular Formular: C21H30N4O2
• Molecular Mass: 370.4885
• Monoisotopic Mass: 370.23687622
• SMILES: c1(C2CN(C(=O)c3cc(OCC)ccc3)CCC2)n(ccn1)CCN(C)C
• Canonical SMILES: CCOc1cccc(c1)C(=O)N1CCCC(C1)c1nccn1CCN(C)C
• InChI: InChI=1S/C21H30N4O2/c1-4-27-19-9-5-7-17(15-19)21(26)25-11-6-8-18(16-25)20-22-10-12-24(20)14-13-23(2)3/h5,7,9-10,12,15,18H,4,6,8,11,13-14,16H2,1-3H3
• InChIKey: YAYMDCRCUARTQH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-{2-[1-(3-ethoxybenzoyl)piperidin-3-yl]-1H-imidazol-1-yl}ethyl)dimethylamine
• IUPAC Traditional name: (2-{2-[1-(3-ethoxybenzoyl)piperidin-3-yl]imidazol-1-yl}ethyl)dimethylamine
• Synonyms: (2-{2-[1-(3-ethoxybenzoyl)piperidin-3-yl]-1H-imidazol-1-yl}ethyl)dimethylamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.341882
• LogD (pH = 7.4): 0.61359084
• Log P: 2.1428998
• Molar Refractivity: 108.0951 cm^3
• Polarizability: 41.216114 Å^3
• Polar Surface Area: 50.6 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: 1.88
• LOG S: -3.51
• Polar Surface Area: 50.6 Å^2
• Rotatable Bonds: 7