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

• ChemBase ID: 804275
• Molecular Formular: C7H11N3O
• Molecular Mass: 153.18174
• Monoisotopic Mass: 153.09021199
• SMILES: CC(=O)Nc1[nH]c(cn1)CC
• Canonical SMILES: CCc1cnc([nH]1)NC(=O)C
• InChI: InChI=1S/C7H11N3O/c1-3-6-4-8-7(10-6)9-5(2)11/h4H,3H2,1-2H3,(H2,8,9,10,11)
• InChIKey: AAZKMLPFLHFACP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 160041-62-3

CALCULATED PROPERTIES

• Acid pKa: 10.222789
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.4831974
• LogD (pH = 7.4): 0.49796537
• Log P: 0.4988199
• Molar Refractivity: 43.0228 cm^3
• Polarizability: 15.655293 Å^3
• Polar Surface Area: 57.78 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%