N'-{5-[(4,5-dichloro-1H-imidazol-1-yl)methyl]furan-2-carbonyl}acetohydrazide

• ChemBase ID: 82756
• Molecular Formular: C11H10Cl2N4O3
• Molecular Mass: 317.1281
• Monoisotopic Mass: 316.01299556
• SMILES: n1(c(c(Cl)nc1)Cl)Cc1ccc(o1)C(=O)NNC(=O)C
• Canonical SMILES: CC(=O)NNC(=O)c1ccc(o1)Cn1cnc(c1Cl)Cl
• InChI: InChI=1S/C11H10Cl2N4O3/c1-6(18)15-16-11(19)8-3-2-7(20-8)4-17-5-14-9(12)10(17)13/h2-3,5H,4H2,1H3,(H,15,18)(H,16,19)
• InChIKey: BRBJUGOVJYJLFA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N'-{5-[(4,5-dichloro-1H-imidazol-1-yl)methyl]furan-2-carbonyl}acetohydrazide
• IUPAC Traditional name: N'-{5-[(4,5-dichloroimidazol-1-yl)methyl]furan-2-carbonyl}acetohydrazide
• Synonyms: N'2-acetyl-5-[(4,5-dichloro-1H-imidazol-1-yl)methyl]furan-2-carbohydrazide

Database IDs

• MDL Number: MFCD00097504
• PubChem SID: 162069875
• PubChem CID: 2779049

CALCULATED PROPERTIES

• Acid pKa: 8.630153
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.18590042
• LogD (pH = 7.4): 0.16568671
• Log P: 0.18764086
• Molar Refractivity: 73.4068 cm^3
• Polarizability: 27.277872 Å^3
• Polar Surface Area: 89.16 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true