CAS 147403-52-9

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Also known as: 147403-52-9, Azilsartan methyl ester, 1-[[2'-(2,5-dihydro-5-oxo-1,2,4-oxadiazol-3-yl)[1,1'-biphenyl]-4-yl]methyl]-2-ethoxy-1h-benzimidazole-7-carboxylic acid methyl ester, Methyl 2-ethoxy-3-[[4-[2-(5-oxo-2h-1,2,4-oxadiazol-3-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate, 1-((2'-(2,5-dihydro-5-oxo-1,2,4-oxadiazol-3-yl)(1,1'-biphenyl)-4-yl)methyl)-2-ethoxy-1h-benzimidazole-7-carboxylic acid methyl ester, 1h-benzimidazole-7-carboxylic acid, 1-[[2/'-(2,5-dihydro-5-oxo-1,2,4-oxadiazol-3-yl)[1,1/'-biphenyl]

Molecular Formula

C₂₆H₂₂N₄O₅

Molecular Weight

470.5 g/mol

InChI Key

PCMXVTVLQVGYLX-UHFFFAOYSA-N

1 2D Structure

CAS 147403-52-9

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

methyl 2-ethoxy-3-[[4-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate

2.1.2 InChI

InChI=1S/C26H22N4O5/c1-3-34-25-27-21-10-6-9-20(24(31)33-2)22(21)30(25)15-16-11-13-17(14-12-16)18-7-4-5-8-19(18)23-28-26(32)35-29-23/h4-14H,3,15H2,1-2H3,(H,28,29,32)

2.1.3 InChI Key

PCMXVTVLQVGYLX-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCOC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NOC(=O)N5)C(=O)OC

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 147403-52-9

2. Azilsartan Methyl Ester

3. 1-[[2'-(2,5-dihydro-5-oxo-1,2,4-oxadiazol-3-yl)[1,1'-biphenyl]-4-yl]methyl]-2-ethoxy-1h-benzimidazole-7-carboxylic Acid Methyl Ester

4. Methyl 2-ethoxy-3-[[4-[2-(5-oxo-2h-1,2,4-oxadiazol-3-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate

5. 1-((2'-(2,5-dihydro-5-oxo-1,2,4-oxadiazol-3-yl)(1,1'-biphenyl)-4-yl)methyl)-2-ethoxy-1h-benzimidazole-7-carboxylic Acid Methyl Ester

6. 1h-benzimidazole-7-carboxylic Acid, 1-[[2/'-(2,5-dihydro-5-oxo-1,2,4-oxadiazol-3-yl)[1,1/'-biphenyl]

7. Ec 692-146-2

8. Schembl965217

9. Chembl341833

10. Amy4362

11. Dtxsid70570361

12. Bcp12041

13. Xfa40352

14. Mfcd20527276

15. Zinc13760707

16. Akos025146636

17. Ds-8623

18. Ac-25907

19. Methyl 2-ethoxy-1-((2'-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)-biphenyl-4-yl)methyl)-1h-benz-imidazole-7-carboxylate

20. Methyl 2-ethoxy-1-{[2'-(5-oxo-2,5-dihydro-1,2,4-oxadiazol-3-yl)[1,1'-biphenyl]-4-yl]methyl}-1h-benzimidazole-7-carboxylate

21. Cs-0008003

22. Ft-0696489

23. A848326

24. 1h-benzimidazole-7-carboxylic Acid, 1-[[2'-(2,5-dihydro-5-oxo-1,2,4-oxadiazol-3-yl)[1,1'-biphenyl]-4-yl]methyl] -2-ethoxy-, Methyl Ester

25. 1h-benzimidazole-7-carboxylic Acid, 1-[[2-(2,5-dihydro-5-oxo-1,2,4-oxadiazol-3-yl)[1,1-biphenyl]-4-yl]methyl]-2-ethoxy-, Methyl Ester

26. 2-ethoxy-1-[[2'-(5-oxo-4,5-dihydro-1,2,4-oxadiazole-3-yl)-4-biphenylyl]methyl]-1h-benzoimidazole-7-carboxylic Acid Methyl Ester

27. Methyl 2-ethoxy-1-[[2'-(2,5-dihydro-5-oxo-1,2,4-oxadiazol-3-yl)biphenyl-4-yl]methyl]benzimidazole-7-carboxylate

28. Methyl 2-ethoxy-3-[[4-[2-(5-oxo-4h-1,2,4-oxadiazol-3-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate

29. Methyl2-ethoxy-1-((2'-(5-oxo-2,5-dihydro-1,2,4-oxadiazol-3-yl)-[1,1'-biphenyl]-4-yl)methyl)-1h-benzo[d]imidazole-7-carboxylate

2.3 Create Date

2019-01-16

3 Chemical and Physical Properties

Molecular Formula	C₂₆H₂₂N₄O₅
Molecular Weight	470.5 g/mol
XLogP3	4.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	8
Exact Mass	470.15901982 g/mol
Monoisotopic Mass	470.15901982 g/mol
Topological Polar Surface Area	104 Å²
Heavy Atom Count	35
Formal Charge	0
Complexity	799
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