4-(chloromethyl)-1-(triphenylmethyl)-1H-imidazole

• ChemBase ID: 63885
• Molecular Formular: C23H19ClN2
• Molecular Mass: 358.86336
• Monoisotopic Mass: 358.1236763
• SMILES: n1(C(c2ccccc2)(c2ccccc2)c2ccccc2)cnc(c1)CCl
• Canonical SMILES: ClCc1ncn(c1)C(c1ccccc1)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C23H19ClN2/c24-16-22-17-26(18-25-22)23(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15,17-18H,16H2
• InChIKey: ADCUCAMWCWNHJA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(chloromethyl)-1-(triphenylmethyl)-1H-imidazole
• IUPAC Traditional name: 4-(chloromethyl)-1-(triphenylmethyl)imidazole
• Synonyms: 4-(Chloromethyl)-1-trityl-1H-imidazole

Database IDs

• CAS Number: 103057-10-9
• MDL Number: MFCD06660115
• PubChem SID: 162029624
• PubChem CID: 2763176

CALCULATED PROPERTIES

• Polarizability: 41.36246 Å^3
• Polar Surface Area: 17.82 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.4420795
• LogD (pH = 7.4): 5.891641
• Log P: 5.904121
• Molar Refractivity: 108.3044 cm^3

PROPERTIES

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: 97%; 98%