2-[1-(triphenylmethyl)-1H-imidazol-4-yl]ethan-1-amine

• ChemBase ID: 800271
• Molecular Formular: C24H23N3
• Molecular Mass: 353.45952
• Monoisotopic Mass: 353.18919775
• SMILES: NCCc1ncn(c1)C(c1ccccc1)(c1ccccc1)c1ccccc1
• Canonical SMILES: NCCc1ncn(c1)C(c1ccccc1)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C24H23N3/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,16-17,25H2
• InChIKey: WZPAUNPMGPHBHT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[1-(triphenylmethyl)-1H-imidazol-4-yl]ethan-1-amine
• IUPAC Traditional name: 2-[1-(triphenylmethyl)imidazol-4-yl]ethanamine
• Synonyms: 2-(1-Trityl-1H-imidazol-4-yl)-ethylamine

Database IDs

• CAS Number: 195053-92-0

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.2381322
• LogD (pH = 7.4): 2.5534859
• Log P: 4.67966
• Molar Refractivity: 111.6103 cm^3
• Polarizability: 42.90114 Å^3
• Polar Surface Area: 43.84 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%