3-{3-[1-(2-methoxyethyl)-1H-imidazol-2-yl]piperidine-1-carbonyl}-N,N-dimethylaniline

• ChemBase ID: 659273
• Molecular Formular: C20H28N4O2
• Molecular Mass: 356.46192
• Monoisotopic Mass: 356.22122616
• SMILES: c1(C2CN(C(=O)c3cc(N(C)C)ccc3)CCC2)n(ccn1)CCOC
• Canonical SMILES: COCCn1ccnc1C1CCCN(C1)C(=O)c1cccc(c1)N(C)C
• InChI: InChI=1S/C20H28N4O2/c1-22(2)18-8-4-6-16(14-18)20(25)24-10-5-7-17(15-24)19-21-9-11-23(19)12-13-26-3/h4,6,8-9,11,14,17H,5,7,10,12-13,15H2,1-3H3
• InChIKey: YZOINDGUNMISMG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-{3-[1-(2-methoxyethyl)-1H-imidazol-2-yl]piperidine-1-carbonyl}-N,N-dimethylaniline
• IUPAC Traditional name: 3-{3-[1-(2-methoxyethyl)imidazol-2-yl]piperidine-1-carbonyl}-N,N-dimethylaniline
• Synonyms: 3-({3-[1-(2-methoxyethyl)-1H-imidazol-2-yl]piperidin-1-yl}carbonyl)-N,N-dimethylaniline

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.3202863
• LogD (pH = 7.4): 1.9582736
• Log P: 1.986187
• Molar Refractivity: 104.3363 cm^3
• Polarizability: 39.00612 Å^3
• Polar Surface Area: 50.6 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 0.85
• LOG S: -2.52
• Polar Surface Area: 50.6 Å^2
• Rotatable Bonds: 6