2,4-diphenyl-1H-imidazole

• ChemBase ID: 85770
• Molecular Formular: C15H12N2
• Molecular Mass: 220.26918
• Monoisotopic Mass: 220.10004839
• SMILES: n1c(c2ccccc2)[nH]cc1c1ccccc1
• Canonical SMILES: c1ccc(cc1)c1[nH]cc(n1)c1ccccc1
• InChI: InChI=1S/C15H12N2/c1-3-7-12(8-4-1)14-11-16-15(17-14)13-9-5-2-6-10-13/h1-11H,(H,16,17)
• InChIKey: FHHCKYIBYRNHOZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4-diphenyl-1H-imidazole
• IUPAC Traditional name: 2,4-diphenyl-1H-imidazole
• Synonyms: 2,4-Diphenyl-1H-imidazole; 2,4-diphenylimidazole

Database IDs

• CAS Number: 670-83-7
• MDL Number: MFCD07772899
• PubChem SID: 162072886
• PubChem CID: 296732

CALCULATED PROPERTIES

• Acid pKa: 13.020213
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.713091
• LogD (pH = 7.4): 3.9093888
• Log P: 3.9126217
• Molar Refractivity: 78.8786 cm^3
• Polarizability: 28.551151 Å^3
• Polar Surface Area: 28.68 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant

Product Information

• Purity: 98%