2-(2-phenyl-1H-imidazol-1-yl)-N-[1-(thiophen-2-yl)propan-2-yl]acetamide

• ChemBase ID: 693587
• Molecular Formular: C18H19N3OS
• Molecular Mass: 325.42796
• Monoisotopic Mass: 325.12488324
• SMILES: n1(c(ncc1)c1ccccc1)CC(=O)NC(Cc1sccc1)C
• Canonical SMILES: CC(Cc1cccs1)NC(=O)Cn1ccnc1c1ccccc1
• InChI: InChI=1S/C18H19N3OS/c1-14(12-16-8-5-11-23-16)20-17(22)13-21-10-9-19-18(21)15-6-3-2-4-7-15/h2-11,14H,12-13H2,1H3,(H,20,22)
• InChIKey: NPQXVBAXJPSFJG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-phenyl-1H-imidazol-1-yl)-N-[1-(thiophen-2-yl)propan-2-yl]acetamide
• IUPAC Traditional name: 2-(2-phenylimidazol-1-yl)-N-[1-(thiophen-2-yl)propan-2-yl]acetamide
• Synonyms: N-[1-methyl-2-(2-thienyl)ethyl]-2-(2-phenyl-1H-imidazol-1-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.309323
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.778142
• LogD (pH = 7.4): 3.3218434
• Log P: 3.3405297
• Molar Refractivity: 102.6013 cm^3
• Polarizability: 36.065056 Å^3
• Polar Surface Area: 46.92 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 2.57
• LOG S: -3.77
• Polar Surface Area: 46.92 Å^2
• Rotatable Bonds: 6