2-(4,5-dichloro-1H-imidazol-1-yl)acetohydrazide

• ChemBase ID: 82384
• Molecular Formular: C5H6Cl2N4O
• Molecular Mass: 209.03334
• Monoisotopic Mass: 207.99186619
• SMILES: n1(c(c(Cl)nc1)Cl)CC(=O)NN
• Canonical SMILES: NNC(=O)Cn1cnc(c1Cl)Cl
• InChI: InChI=1S/C5H6Cl2N4O/c6-4-5(7)11(2-9-4)1-3(12)10-8/h2H,1,8H2,(H,10,12)
• InChIKey: RZLSBIKQOCNNMQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4,5-dichloro-1H-imidazol-1-yl)acetohydrazide
• IUPAC Traditional name: 2-(4,5-dichloroimidazol-1-yl)acetohydrazide
• Synonyms: 2-(4,5-Dichloro-1H-imidazol-1-yl)ethanohydrazide

Database IDs

• CAS Number: 175137-68-5
• MDL Number: MFCD00204181
• PubChem SID: 162069503
• PubChem CID: 2778465

CALCULATED PROPERTIES

• Acid pKa: 10.2494755
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.40844274
• LogD (pH = 7.4): -0.4043405
• Log P: -0.40370595
• Molar Refractivity: 46.9724 cm^3
• Polarizability: 17.566475 Å^3
• Polar Surface Area: 72.94 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true