1-(triphenylmethyl)-1H-imidazole

• ChemBase ID: 74823
• Molecular Formular: C22H18N2
• Molecular Mass: 310.39172
• Monoisotopic Mass: 310.14699859
• SMILES: n1(C(c2ccccc2)(c2ccccc2)c2ccccc2)ccnc1
• Canonical SMILES: c1ccc(cc1)C(n1cncc1)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C22H18N2/c1-4-10-19(11-5-1)22(24-17-16-23-18-24,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-18H
• InChIKey: NPZDCTUDQYGYQD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(triphenylmethyl)-1H-imidazole
• IUPAC Traditional name: 1-(triphenylmethyl)imidazole
• Synonyms: 1-Trityl-1H-imidazole; 1-(Triphenylmethyl)imidazole; 1-(Triphenylmethyl)-1H-imidazole; 1-(Triphenylmethyl)imidazole; CDD 3501; N-Tritylimidazole; 1-Tritylimidazole; 1-(triphenylmethyl)imidazole; 1-Tritylimidazole; 1-三苯甲基咪唑; N-三苯甲基咪唑

Database IDs

• CAS Number: 15469-97-3
• EC Number: 000-000-0
• MDL Number: MFCD00229427
• Beilstein Number: 238171
• PubChem SID: 162039741; 24874450
• PubChem CID: 618231

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.7250824
• LogD (pH = 7.4): 5.186416
• Log P: 5.235407
• Molar Refractivity: 98.9597 cm^3
• Polarizability: 37.773026 Å^3
• Polar Surface Area: 17.82 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 220-224 °C(lit.); 220-224°C; 229-230°C

Safety Information

• Storage Warning: Irritant
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36; 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 97%; 98%
• Empirical Formula (Hill Notation): C22H18N2

DETAILS

Sigma Aldrich - 524891

Packaging
25 g in glass bottle

Toronto Research Chemicals - T888120

1-Tritylimidazole is a Clotrimazole (C587400) analog as antifungal agent.

REFERENCES

• Vincent, T., et al.: J. Antimicrob. Chemother., 44, 151 (1999)
• Giulia, M., et al.: Bioorg. Med. Chem., 12, 5465 (1999)
• Ram, S., et al.: Eur. J. Med. Chem., 39, 579 (1999)