N-[3-(cyclopentyloxy)propyl]-2-(1H-imidazol-2-yl)benzamide

• ChemBase ID: 846204
• Molecular Formular: C18H23N3O2
• Molecular Mass: 313.39412
• Monoisotopic Mass: 313.17902699
• SMILES: c1(c2c(C(=O)NCCCOC3CCCC3)cccc2)ncc[nH]1
• Canonical SMILES: O=C(c1ccccc1c1ncc[nH]1)NCCCOC1CCCC1
• InChI: InChI=1S/C18H23N3O2/c22-18(21-10-5-13-23-14-6-1-2-7-14)16-9-4-3-8-15(16)17-19-11-12-20-17/h3-4,8-9,11-12,14H,1-2,5-7,10,13H2,(H,19,20)(H,21,22)
• InChIKey: ILPHLDGGQRFDNE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(cyclopentyloxy)propyl]-2-(1H-imidazol-2-yl)benzamide
• IUPAC Traditional name: N-[3-(cyclopentyloxy)propyl]-2-(1H-imidazol-2-yl)benzamide
• Synonyms: N-[3-(cyclopentyloxy)propyl]-2-(1H-imidazol-2-yl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.355718
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.75531
• LogD (pH = 7.4): 2.302561
• Log P: 2.3215485
• Molar Refractivity: 100.4116 cm^3
• Polarizability: 34.938137 Å^3
• Polar Surface Area: 67.01 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: 1.69
• LOG S: -2.93
• Polar Surface Area: 67.01 Å^2
• Rotatable Bonds: 7