4-(2-chloroethyl)-1-(triphenylmethyl)-1H-imidazole

• ChemBase ID: 798501
• Molecular Formular: C24H21ClN2
• Molecular Mass: 372.88994
• Monoisotopic Mass: 372.13932636
• SMILES: n1(cnc(c1)CCCl)C(c1ccccc1)(c1ccccc1)c1ccccc1
• Canonical SMILES: ClCCc1ncn(c1)C(c1ccccc1)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C24H21ClN2/c25-17-16-23-18-27(19-26-23)24(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-15,18-19H,16-17H2
• InChIKey: CRASEQORRPQZAZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2-chloroethyl)-1-(triphenylmethyl)-1H-imidazole
• IUPAC Traditional name: 4-(2-chloroethyl)-1-(triphenylmethyl)imidazole
• Synonyms: 4-(2-chloroethyl)-1-(triphenylmethyl)-1h-imidazole

Database IDs

• CAS Number: 132287-55-9

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.437071
• LogD (pH = 7.4): 6.1064076
• Log P: 6.141134
• Molar Refractivity: 113.0038 cm^3
• Polarizability: 43.130085 Å^3
• Polar Surface Area: 17.82 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 97%