4,5-dichloro-1-(2-chlorobenzoyl)-1H-imidazole

• ChemBase ID: 82393
• Molecular Formular: C10H5Cl3N2O
• Molecular Mass: 275.5185
• Monoisotopic Mass: 273.94674583
• SMILES: n1(C(=O)c2ccccc2Cl)c(c(Cl)nc1)Cl
• Canonical SMILES: Clc1ccccc1C(=O)n1cnc(c1Cl)Cl
• InChI: InChI=1S/C10H5Cl3N2O/c11-7-4-2-1-3-6(7)10(16)15-5-14-8(12)9(15)13/h1-5H
• InChIKey: OSGFGNDMDFEDTP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,5-dichloro-1-(2-chlorobenzoyl)-1H-imidazole
• IUPAC Traditional name: 4,5-dichloro-1-(2-chlorobenzoyl)imidazole
• Synonyms: (2-chlorophenyl)(4,5-dichloro-1H-imidazol-1-yl)methanone

Database IDs

• MDL Number: MFCD00123016
• PubChem SID: 162069512
• PubChem CID: 2778481

CALCULATED PROPERTIES

• Polarizability: 24.531952 Å^3
• Polar Surface Area: 34.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.7760808
• LogD (pH = 7.4): 2.776081
• Log P: 2.776081
• Molar Refractivity: 64.4304 cm^3