N-(4-{1-[1-(thiophen-2-yl)propyl]-1H-imidazol-2-yl}phenyl)acetamide

• ChemBase ID: 750026
• Molecular Formular: C18H19N3OS
• Molecular Mass: 325.42796
• Monoisotopic Mass: 325.12488324
• SMILES: n1(c(ncc1)c1ccc(NC(=O)C)cc1)C(c1sccc1)CC
• Canonical SMILES: CCC(n1ccnc1c1ccc(cc1)NC(=O)C)c1cccs1
• InChI: InChI=1S/C18H19N3OS/c1-3-16(17-5-4-12-23-17)21-11-10-19-18(21)14-6-8-15(9-7-14)20-13(2)22/h4-12,16H,3H2,1-2H3,(H,20,22)
• InChIKey: UOMCZVHWEYSFIL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-{1-[1-(thiophen-2-yl)propyl]-1H-imidazol-2-yl}phenyl)acetamide
• IUPAC Traditional name: N-(4-{1-[1-(thiophen-2-yl)propyl]imidazol-2-yl}phenyl)acetamide
• Synonyms: N-(4-{1-[1-(2-thienyl)propyl]-1H-imidazol-2-yl}phenyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.002781
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.345586
• LogD (pH = 7.4): 3.8979647
• Log P: 3.9173844
• Molar Refractivity: 104.3194 cm^3
• Polarizability: 35.970104 Å^3
• Polar Surface Area: 46.92 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 3.13
• LOG S: -4.25
• Polar Surface Area: 46.92 Å^2
• Rotatable Bonds: 5