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

• ChemBase ID: 808914
• Molecular Formular: C24H23N3
• Molecular Mass: 353.45952
• Monoisotopic Mass: 353.18919775
• SMILES: NC(C)c1ncn(c1)C(c1ccccc1)(c1ccccc1)c1ccccc1
• Canonical SMILES: CC(c1ncn(c1)C(c1ccccc1)(c1ccccc1)c1ccccc1)N
• InChI: InChI=1S/C24H23N3/c1-19(25)23-17-27(18-26-23)24(20-11-5-2-6-12-20,21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-19H,25H2,1H3
• InChIKey: IAZFMDGPNHWAGZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[1-(triphenylmethyl)-1H-imidazol-4-yl]ethan-1-amine
• IUPAC Traditional name: 1-[1-(triphenylmethyl)imidazol-4-yl]ethanamine
• Synonyms: 1-(1-TRITYL-1H-IMIDAZOL-4-YL)-ETHYLAMINE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.1825168
• LogD (pH = 7.4): 3.6321254
• Log P: 5.0114117
• Molar Refractivity: 111.4048 cm^3
• Polarizability: 42.978767 Å^3
• Polar Surface Area: 43.84 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 98%