1,2-dimethyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-imidazole

• ChemBase ID: 814499
• Molecular Formular: C11H19BN2O2
• Molecular Mass: 222.09176
• Monoisotopic Mass: 222.15395826
• SMILES: n1(c(ncc1B1OC(C(O1)(C)C)(C)C)C)C
• Canonical SMILES: Cn1c(C)ncc1B1OC(C(O1)(C)C)(C)C
• InChI: InChI=1S/C11H19BN2O2/c1-8-13-7-9(14(8)6)12-15-10(2,3)11(4,5)16-12/h7H,1-6H3
• InChIKey: ZPNAEIOTYVVDOJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2-dimethyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-imidazole
• IUPAC Traditional name: 1,2-dimethyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)imidazole
• Synonyms: 1,2-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-imidazole

Database IDs

• CAS Number: 942070-70-4

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.5146697
• LogD (pH = 7.4): 2.061652
• Log P: 2.0783
• Molar Refractivity: 57.2586 cm^3
• Polarizability: 24.34584 Å^3
• Polar Surface Area: 36.28 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%