(3-{2-[1-(3-chlorobenzoyl)piperidin-3-yl]-1H-imidazol-1-yl}propyl)dimethylamine

• ChemBase ID: 843906
• Molecular Formular: C20H27ClN4O
• Molecular Mass: 374.90758
• Monoisotopic Mass: 374.18733918
• SMILES: c1(C2CN(C(=O)c3cc(Cl)ccc3)CCC2)n(ccn1)CCCN(C)C
• Canonical SMILES: CN(CCCn1ccnc1C1CCCN(C1)C(=O)c1cccc(c1)Cl)C
• InChI: InChI=1S/C20H27ClN4O/c1-23(2)10-5-12-24-13-9-22-19(24)17-7-4-11-25(15-17)20(26)16-6-3-8-18(21)14-16/h3,6,8-9,13-14,17H,4-5,7,10-12,15H2,1-2H3
• InChIKey: UAHCMVCQTYLRRZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -1.4755089
• LogD (pH = 7.4): 0.33791855
• Log P: 2.6077676
• Molar Refractivity: 106.5535 cm^3
• Polarizability: 40.566086 Å^3
• Polar Surface Area: 41.37 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: 1.79
• LOG S: -3.46
• Polar Surface Area: 41.37 Å^2
• Rotatable Bonds: 6