N-{3-[cyclopentyl(methyl)amino]propyl}-2-(1H-imidazol-2-yl)benzamide

• ChemBase ID: 538862
• Molecular Formular: C19H26N4O
• Molecular Mass: 326.43594
• Monoisotopic Mass: 326.21066147
• SMILES: c1(c2c(C(=O)NCCCN(C3CCCC3)C)cccc2)ncc[nH]1
• Canonical SMILES: CN(C1CCCC1)CCCNC(=O)c1ccccc1c1ncc[nH]1
• InChI: InChI=1S/C19H26N4O/c1-23(15-7-2-3-8-15)14-6-11-22-19(24)17-10-5-4-9-16(17)18-20-12-13-21-18/h4-5,9-10,12-13,15H,2-3,6-8,11,14H2,1H3,(H,20,21)(H,22,24)
• InChIKey: QPQWMNTYKGCZIX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{3-[cyclopentyl(methyl)amino]propyl}-2-(1H-imidazol-2-yl)benzamide
• IUPAC Traditional name: N-{3-[cyclopentyl(methyl)amino]propyl}-2-(1H-imidazol-2-yl)benzamide
• Synonyms: N-{3-[cyclopentyl(methyl)amino]propyl}-2-(1H-imidazol-2-yl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.358635
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.6528759
• LogD (pH = 7.4): -0.34074292
• Log P: 2.3871686
• Molar Refractivity: 107.3872 cm^3
• Polarizability: 37.62471 Å^3
• Polar Surface Area: 61.02 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 1.49
• LOG S: -2.85
• Polar Surface Area: 61.02 Å^2
• Rotatable Bonds: 7