2,4,5-triphenyl-1H-imidazole

• ChemBase ID: 90929
• Molecular Formular: C21H16N2
• Molecular Mass: 296.36514
• Monoisotopic Mass: 296.13134852
• SMILES: n1c(c2ccccc2)[nH]c(c1c1ccccc1)c1ccccc1
• Canonical SMILES: c1ccc(cc1)c1nc(c([nH]1)c1ccccc1)c1ccccc1
• InChI: InChI=1S/C21H16N2/c1-4-10-16(11-5-1)19-20(17-12-6-2-7-13-17)23-21(22-19)18-14-8-3-9-15-18/h1-15H,(H,22,23)
• InChIKey: RNIPJYFZGXJSDD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4,5-triphenyl-1H-imidazole
• IUPAC Traditional name: 1H-imidazole, 2,4,5-triphenyl-
• Synonyms: Lophine; 2,4,5-Trisphenyl-1H-imidazole; 2,4,5-Triphenylimidazole; 2,4,5-TRIPHENYLIMIDAZOLE; 咯吩; 2,4,5-三苯基咪唑

Database IDs

• CAS Number: 484-47-9
• EC Number: 207-606-6
• MDL Number: MFCD00005187
• Beilstein Number: 236652
• PubChem SID: 162077633; 24900520
• PubChem CID: 10232

CALCULATED PROPERTIES

• Acid pKa: 12.004623
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 5.3822536
• LogD (pH = 7.4): 5.478453
• Log P: 5.4798484
• Molar Refractivity: 103.8923 cm^3
• Polarizability: 39.67556 Å^3
• Polar Surface Area: 28.68 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 274-278 °C(lit.); 274-278°C; 274-278°C

Safety Information

• Storage Warning: Harmful/Irritant/Store under Argon
• RTECS: NI8710000
• German water hazard class: 3
• TSCA Listed: 是
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Pharmacology Properties

• Gene Information: rat ... Soat1(81782)

Product Information

• Purity: 97%; 98%
• Empirical Formula (Hill Notation): C21H16N2

DETAILS

MP Biomedicals - 05208928

MP Biomedicals Rare Chemical collection

Sigma Aldrich - T83208

Packaging
25 g in poly bottle