2-Aminobenzimidazole-5-boronic Acid Pinacol Ester - CAS 863328-18-1
Catalog: |
BB037894 |
Product Name: |
2-Aminobenzimidazole-5-boronic Acid Pinacol Ester |
CAS: |
863328-18-1 |
Synonyms: |
6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzimidazol-2-amine; 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzimidazol-2-amine |
IUPAC Name: | 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzimidazol-2-amine |
Description: | 2-Aminobenzimidazole-5-boronic Acid Pinacol Ester (CAS# 863328-18-1 ) is a useful research chemical. |
Molecular Weight: | 259.11 |
Molecular Formula: | C13H18N3O2B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)N=C(N3)N |
InChI: | InChI=1S/C13H18BN3O2/c1-12(2)13(3,4)19-14(18-12)8-5-6-9-10(7-8)17-11(15)16-9/h5-7H,1-4H3,(H3,15,16,17) |
InChI Key: | FACVWFDWFBHHGO-UHFFFAOYSA-N |
LogP: | 1.37440 |
Publication Number | Title | Priority Date |
US-10227331-B2 | Metallo-β-lactamase inhibitors | 20150626 |
US-2018179190-A1 | Metallo-beta-lactamase inhibitors | 20150626 |
WO-2016206101-A1 | Metallo-beta-lactamase inhibitors | 20150626 |
JP-2017507983-A | Novel 3-indole substituted derivatives, pharmaceutical compositions, and methods of use | 20140318 |
US-2015266857-A1 | Novel 3-indol substituted derivatives, pharmaceutical compositions and methods for use | 20140318 |
Complexity: | 348 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 259.149207 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 259.149207 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 73.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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Boronic Acids and Esters
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