2-(4,5-dichloro-1H-imidazol-1-yl)-N-(furan-2-ylmethyl)acetamide

• ChemBase ID: 123911
• Molecular Formular: C10H9Cl2N3O2
• Molecular Mass: 274.10336
• Monoisotopic Mass: 273.0071819
• SMILES: n1(c(c(nc1)Cl)Cl)CC(=O)NCc1occc1
• Canonical SMILES: O=C(Cn1cnc(c1Cl)Cl)NCc1ccco1
• InChI: InChI=1S/C10H9Cl2N3O2/c11-9-10(12)15(6-14-9)5-8(16)13-4-7-2-1-3-17-7/h1-3,6H,4-5H2,(H,13,16)
• InChIKey: YWRKFIODEIXYED-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 162218264
• PubChem CID: 49651925

CALCULATED PROPERTIES

• Acid pKa: 10.710495
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.89976585
• LogD (pH = 7.4): 0.90095973
• Log P: 0.90116554
• Molar Refractivity: 64.3885 cm^3
• Polarizability: 24.391708 Å^3
• Polar Surface Area: 60.06 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true