1-Methylbenzimidazole-5-boronic Acid Pinacol Ester - CAS 1107627-02-0
Catalog: |
BB002670 |
Product Name: |
1-Methylbenzimidazole-5-boronic Acid Pinacol Ester |
CAS: |
1107627-02-0 |
Synonyms: |
1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole; 1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole |
IUPAC Name: | 1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole |
Description: | 1-Methylbenzimidazole-5-boronic Acid Pinacol Ester (CAS# 1107627-02-0) 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/c1-13(2)14(3,4)19-15(18-13)10-6-7-12-11(8-10)16-9-17(12)5/h6-9H,1-5H3 |
InChI Key: | BWNQSQNFMZUMNV-UHFFFAOYSA-N |
MDL: | MFCD16995902 |
LogP: | 0.82690 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2019198692-A1 | Fused cyclic urea derivatives as crhr2 antagonist | 20180409 |
KR-20200135834-A | Condensed cyclic urea derivatives as CRHR2 antagonists | 20180409 |
BR-112020020708-A2 | CYCLIC UREA FUSED DERIVATIVES AS CRHR2 ANTAGONIST | 20180409 |
EP-3774739-A1 | Fused cyclic urea derivatives as crhr2 antagonist | 20180409 |
US-2021078975-A1 | Fused cyclic urea derivatives as crhr2 antagonist | 20180409 |
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: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 258.1539580 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 36.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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