N-(5-phenyl-1H-imidazol-2-yl)acetamide

• ChemBase ID: 804277
• Molecular Formular: C11H11N3O
• Molecular Mass: 201.22454
• Monoisotopic Mass: 201.09021199
• SMILES: CC(=O)Nc1[nH]c(cn1)c1ccccc1
• Canonical SMILES: CC(=O)Nc1ncc([nH]1)c1ccccc1
• InChI: InChI=1S/C11H11N3O/c1-8(15)13-11-12-7-10(14-11)9-5-3-2-4-6-9/h2-7H,1H3,(H2,12,13,14,15)
• InChIKey: FHPJRPZJOWONDO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(5-phenyl-1H-imidazol-2-yl)acetamide
• IUPAC Traditional name: N-(4-phenyl-3H-imidazol-2-yl)acetamide
• Synonyms: N-(5-PHENYL-1H-IMIDAZOL-2-YL)ACETAMIDE

Database IDs

• CAS Number: 160041-64-5

CALCULATED PROPERTIES

• H Donor: 2
• LogD (pH = 5.5): 1.3413488
• LogD (pH = 7.4): 1.3423581
• Log P: 1.3439627
• Molar Refractivity: 58.3628 cm^3
• Polarizability: 22.976994 Å^3
• Polar Surface Area: 57.78 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• Acid pKa: 9.803577
• H Acceptors: 2

PROPERTIES

Product Information

• Purity: 98%