N-(3-chlorophenyl)-2-(4,5-dichloro-1H-imidazol-1-yl)acetamide

• ChemBase ID: 82516
• Molecular Formular: C11H8Cl3N3O
• Molecular Mass: 304.55972
• Monoisotopic Mass: 302.97329493
• SMILES: n1(c(c(Cl)nc1)Cl)CC(=O)Nc1cccc(c1)Cl
• Canonical SMILES: Clc1cccc(c1)NC(=O)Cn1cnc(c1Cl)Cl
• InChI: InChI=1S/C11H8Cl3N3O/c12-7-2-1-3-8(4-7)16-9(18)5-17-6-15-10(13)11(17)14/h1-4,6H,5H2,(H,16,18)
• InChIKey: GYJKPFPCYHRGQG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-chlorophenyl)-2-(4,5-dichloro-1H-imidazol-1-yl)acetamide
• IUPAC Traditional name: N-(3-chlorophenyl)-2-(4,5-dichloroimidazol-1-yl)acetamide
• Synonyms: N1-(3-chlorophenyl)-2-(4,5-dichloro-1H-imidazol-1-yl)acetamide

Database IDs

• MDL Number: MFCD00123185
• PubChem SID: 162069635
• PubChem CID: 2778678

CALCULATED PROPERTIES

• Acid pKa: 13.054858
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.736662
• LogD (pH = 7.4): 2.7380404
• Log P: 2.738059
• Molar Refractivity: 73.7482 cm^3
• Polarizability: 27.50455 Å^3
• Polar Surface Area: 46.92 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true