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

• ChemBase ID: 415240
• Molecular Formular: C18H19N3O2S
• Molecular Mass: 341.42736
• Monoisotopic Mass: 341.11979786
• SMILES: n1(c(ncc1)c1ccc(NC(=O)C)cc1)CC(c1sccc1)OC
• Canonical SMILES: COC(c1cccs1)Cn1ccnc1c1ccc(cc1)NC(=O)C
• InChI: InChI=1S/C18H19N3O2S/c1-13(22)20-15-7-5-14(6-8-15)18-19-9-10-21(18)12-16(23-2)17-4-3-11-24-17/h3-11,16H,12H2,1-2H3,(H,20,22)
• InChIKey: CHFAGBVEAWDVOE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Donor: 1
• LogD (pH = 5.5): 2.3946009
• LogD (pH = 7.4): 2.969591
• Log P: 2.9910786
• Molar Refractivity: 106.0903 cm^3
• Polarizability: 36.66336 Å^3
• Polar Surface Area: 56.15 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true
• Acid pKa: 14.005305
• H Acceptors: 3

供应商提供(Chembridge)

• H Donor: 1
• Log P: 2.61
• LOG S: -3.92
• Polar Surface Area: 56.15 Å^2
• Rotatable Bonds: 6
• H Acceptors: 3