N-(1-carbamoylcyclopentyl)-2-(1H-imidazol-2-yl)benzamide

• ChemBase ID: 689063
• Molecular Formular: C16H18N4O2
• Molecular Mass: 298.33972
• Monoisotopic Mass: 298.14297584
• SMILES: C(=O)(NC1(C(=O)N)CCCC1)c1c(c2ncc[nH]2)cccc1
• Canonical SMILES: NC(=O)C1(CCCC1)NC(=O)c1ccccc1c1ncc[nH]1
• InChI: InChI=1S/C16H18N4O2/c17-15(22)16(7-3-4-8-16)20-14(21)12-6-2-1-5-11(12)13-18-9-10-19-13/h1-2,5-6,9-10H,3-4,7-8H2,(H2,17,22)(H,18,19)(H,20,21)
• InChIKey: QJAIUIGAUSDCLW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1-carbamoylcyclopentyl)-2-(1H-imidazol-2-yl)benzamide
• IUPAC Traditional name: N-(1-carbamoylcyclopentyl)-2-(1H-imidazol-2-yl)benzamide
• Synonyms: N-[1-(aminocarbonyl)cyclopentyl]-2-(1H-imidazol-2-yl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.354884
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): 0.64177394
• LogD (pH = 7.4): 1.1887848
• Log P: 1.2077521
• Molar Refractivity: 92.4493 cm^3
• Polarizability: 31.7769 Å^3
• Polar Surface Area: 100.87 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 3
• Log P: -0.37
• LOG S: -2.37
• Polar Surface Area: 100.87 Å^2
• Rotatable Bonds: 4