2-Methylbenzimidazole-5-boronic Acid Pinacol Ester - CAS 1314216-34-6
Catalog: |
BB007319 |
Product Name: |
2-Methylbenzimidazole-5-boronic Acid Pinacol Ester |
CAS: |
1314216-34-6 |
Synonyms: |
2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzimidazole; 2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzimidazole |
IUPAC Name: | 2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzimidazole |
Description: | 2-Methylbenzimidazole-5-boronic Acid Pinacol Ester (CAS# 1314216-34-6) is a useful research chemical. |
Molecular Weight: | 258.12 |
Molecular Formula: | C14H19N2O2B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)N=C(N3)C |
InChI: | InChI=1S/C14H19BN2O2/c1-9-16-11-7-6-10(8-12(11)17-9)15-18-13(2,3)14(4,5)19-15/h6-8H,1-5H3,(H,16,17) |
InChI Key: | CPQGLMCLTALRHF-UHFFFAOYSA-N |
Appearance: | Solid |
Storage: | Sealed in dry, 2-8 °C |
LogP: | 2.17050 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2019023666-A1 | Heterocyclic compounds as adenosine antagonists | 20170718 |
US-11028058-B2 | Heterocyclic compounds as adenosine antagonists | 20170718 |
US-2021292285-A1 | Heterocyclic compounds as adenosine antagonists | 20170718 |
EP-3560924-A1 | Imidazolonyl quinolines and their use as atm kinase inhibitors | 20150402 |
WO-2015140717-A1 | Novel 3-indol substituted derivatives, pharmaceutical compositions and methods for use | 20140318 |
Complexity: | 345 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 258.1539580 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 258.1539580 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 47.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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