CAS 1231930-37-2

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3 End Use APIs
24 Related Intermediates

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Also known as: 1231930-37-2, 1h-benzimidazole, 4-fluoro-2-methyl-1-(1-methylethyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, (4-fluoro-1-isopropyl-2-methyl-1h-benzo[d]imidazol-6-yl)boronic acid pinacol ester, 4-fluoro-2-methyl-1-propan-2-yl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole, 4-fluoro-2-methyl-1-(1-methylethyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1h-benzimidazole, 4-fluoro-2-methyl-1-(propan-2-yl)-6-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1h-1,3-benzodiazole

Molecular Formula

C₁₇H₂₄BFN₂O₂

Molecular Weight

318.2 g/mol

InChI Key

HUSPISQCNSLJSR-UHFFFAOYSA-N

1 2D Structure

CAS 1231930-37-2

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-fluoro-2-methyl-1-propan-2-yl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole

2.1.2 InChI

InChI=1S/C17H24BFN2O2/c1-10(2)21-11(3)20-15-13(19)8-12(9-14(15)21)18-22-16(4,5)17(6,7)23-18/h8-10H,1-7H3

2.1.3 InChI Key

HUSPISQCNSLJSR-UHFFFAOYSA-N

2.1.4 Canonical SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C(=C2)F)N=C(N3C(C)C)C

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 1231930-37-2

2. 1h-benzimidazole, 4-fluoro-2-methyl-1-(1-methylethyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-

3. (4-fluoro-1-isopropyl-2-methyl-1h-benzo[d]imidazol-6-yl)boronic Acid Pinacol Ester

4. 4-fluoro-2-methyl-1-propan-2-yl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole

5. 4-fluoro-2-methyl-1-(1-methylethyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1h-benzimidazole

6. 4-fluoro-2-methyl-1-(propan-2-yl)-6-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1h-1,3-benzodiazole

7. Ly2835219-intermediate-4

8. Schembl2511865

9. Dtxsid801114022

10. Amy12372

11. Bcp14849

12. Cs-m2090

13. Mfcd25977327

14. Akos025404836

15. Zinc204073456

16. Ds-8915

17. Sb15066

18. Db-106812

19. A890841

20. 4-fluoro-1-isopropyl-2-methylbenzimidazole-6-boronic Acid Pinacol Ester

21. 4-fluoro-1-isopropyl-2-methyl-1h-benzo[d]imidazole-6-boronic Acid Pinacol Ester

22. 1-isopropyl-2-methyl-4-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolane-2-yl)-1h-benzoimidazole

23. 1h-benzimidazole,4-fluoro-2-methyl-1-(1-methylethyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-

2.3 Create Date

2012-11-30

3 Chemical and Physical Properties

Molecular Formula	C₁₇H₂₄BFN₂O₂
Molecular Weight	318.2 g/mol
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	318.1914863 g/mol
Monoisotopic Mass	318.1914863 g/mol
Topological Polar Surface Area	36.3 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	444
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1