1-ethyl-2-(tributylstannyl)-1H-imidazole

• ChemBase ID: 78253
• Molecular Formular: C17H34N2Sn
• Molecular Mass: 385.16626
• Monoisotopic Mass: 386.1743931
• SMILES: n1(CC)ccnc1[Sn](CCCC)(CCCC)CCCC
• Canonical SMILES: CCCC[Sn](c1nccn1CC)(CCCC)CCCC
• InChI: InChI=1S/C5H7N2.3C4H9.Sn/c1-2-7-4-3-6-5-7;3*1-3-4-2;/h3-4H,2H2,1H3;3*1,3-4H2,2H3
• InChIKey: MPVBYTOPMQUEND-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-ethyl-2-(tributylstannyl)-1H-imidazole
• IUPAC Traditional name: 1-ethyl-2-(tributylstannyl)imidazole
• Synonyms: (1-Ethyl-1H-imidazol-2-yl)tributylstannane; 1-Ethyl-2-(tributylstannyl)-1H-imidazole

Database IDs

• PubChem SID: 162104435
• PubChem CID: 45933818

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.086081
• LogD (pH = 7.4): 3.8488636
• Log P: 4.3353
• Molar Refractivity: 85.9634 cm^3
• Polarizability: 38.173946 Å^3
• Polar Surface Area: 17.82 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Toxic