N-[3-(cyclopentyloxy)propyl]-5-methyl-2-phenyl-1H-imidazole-4-carboxamide

• ChemBase ID: 532021
• Molecular Formular: C19H25N3O2
• Molecular Mass: 327.4207
• Monoisotopic Mass: 327.19467706
• SMILES: c1(nc([nH]c1C)c1ccccc1)C(=O)NCCCOC1CCCC1
• Canonical SMILES: O=C(c1nc([nH]c1C)c1ccccc1)NCCCOC1CCCC1
• InChI: InChI=1S/C19H25N3O2/c1-14-17(22-18(21-14)15-8-3-2-4-9-15)19(23)20-12-7-13-24-16-10-5-6-11-16/h2-4,8-9,16H,5-7,10-13H2,1H3,(H,20,23)(H,21,22)
• InChIKey: NNRWJYACVNLNFC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(cyclopentyloxy)propyl]-5-methyl-2-phenyl-1H-imidazole-4-carboxamide
• IUPAC Traditional name: N-[3-(cyclopentyloxy)propyl]-5-methyl-2-phenyl-1H-imidazole-4-carboxamide
• Synonyms: N-[3-(cyclopentyloxy)propyl]-5-methyl-2-phenyl-1H-imidazole-4-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.6222105
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.9006305
• LogD (pH = 7.4): 2.9046037
• Log P: 2.9069602
• Molar Refractivity: 105.1893 cm^3
• Polarizability: 36.706978 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: 3.64
• LOG S: -4.7
• Polar Surface Area: 67.01 Å^2
• Rotatable Bonds: 7