CAS 139481-41-7

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Also known as: 139481-41-7, Ethyl 2-ethoxy-1-[(2'-cyanobiphenyl-4-yl)methyl]-1h-benzimidazole-7-carboxylate, Ethyl-2-ethoxy-1-[[(2'-cyanobiphenyl-4-yl) methyl] benzimidazole]-7-carboxylate, Ethyl 3-[[4-(2-cyanophenyl)phenyl]methyl]-2-ethoxybenzimidazole-4-carboxylate, Ethyl 2-ethoxy-1-[[(2'-cyanobiphenyl-4-yl)methyl]benzimidazole]-7-carboxylate, Ethyl 1-[(2'-cyanobiphenyl-4-yl)methyl]-2-ethoxybenzimidazole-7-carboxylate

Molecular Formula

C₂₆H₂₃N₃O₃

Molecular Weight

425.5 g/mol

InChI Key

GYTTUVXCCHRIBA-UHFFFAOYSA-N

1 2D Structure

CAS 139481-41-7

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

ethyl 3-[[4-(2-cyanophenyl)phenyl]methyl]-2-ethoxybenzimidazole-4-carboxylate

2.1.2 InChI

InChI=1S/C26H23N3O3/c1-3-31-25(30)22-10-7-11-23-24(22)29(26(28-23)32-4-2)17-18-12-14-19(15-13-18)21-9-6-5-8-20(21)16-27/h5-15H,3-4,17H2,1-2H3

2.1.3 InChI Key

GYTTUVXCCHRIBA-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCOC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C#N)C(=O)OCC

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 139481-41-7

2. Ethyl 2-ethoxy-1-[(2'-cyanobiphenyl-4-yl)methyl]-1h-benzimidazole-7-carboxylate

3. Ethyl-2-ethoxy-1-[[(2'-cyanobiphenyl-4-yl) Methyl] Benzimidazole]-7-carboxylate

4. Ethyl 3-[[4-(2-cyanophenyl)phenyl]methyl]-2-ethoxybenzimidazole-4-carboxylate

5. Ethyl 2-ethoxy-1-[[(2'-cyanobiphenyl-4-yl)methyl]benzimidazole]-7-carboxylate

6. Ethyl 1-[(2'-cyanobiphenyl-4-yl)methyl]-2-ethoxybenzimidazole-7-carboxylate

7. Ethyl 1-[(2'-cyanobiphenyl-4-yl)methyl]-2-ethoxy-1h-benzimidazole-7-carboxylate

8. Candesartan Intermediates

9. Ethyl -2-ethoxy-1-[[(2 Inverted Exclamation Marka-cyanobiphenyl-4-yl) Methyl] Benzimidazole] -7-carboxylate

10. Schembl848507

11. Dtxsid80572750

12. Bcp07077

13. Mfcd09030636

14. Zinc21989286

15. Akos015896141

16. Am84368

17. Ds-0460

18. Ethyl 1-((2'-cyanobiphenyl-4-yl)methyl)-2-ethoxy-1h-benzo[d]imidazole-7-carboxylate

19. Ac-26326

20. Cs-0151805

21. Ft-0648291

22. 4-chlorophenylphenylphosphoramidochloridate

23. A807543

24. Ethyl 1-[(2'-cyanobiphenyl-4-yl)methyl]-2-ethoxybenzimidazole7-carboxylate

25. Ethyl 1-[(2'-cyanobiphenyl-4-yl)methyl]-2ethoxybenzimidazole-7-carboxylate

26. Ethyl 1-[(2'-cyano-[1,1'-biphenyl]-4-yl)methyl]-2-ethoxy-1h-benzoimidazole-7-carboxylate

27. Ethyl 1-[(2'-cyano-4-biphenylyl)methyl]-2-ethoxy-1h-benzimidazole-7-carboxylate

28. Ethyl 1-[(2'-cyano[1,1'-biphenyl]-4-yl)methyl]-2-ethoxy-1h-benzimidazole-7-carboxylate

29. Ethyl 2-ethoxy-1-[[(2`-cyanobiphenyl-4-yl)methyl]benzimidazole]-7-carboxylate

30. Ethyl-2-ethoxy-1-[[(2'-cyanobiphenyl-4-yl)methyl]benzimidazole]-7-carboxylate

31. 1h-benzimidazole-7-carboxylic Acid,1-((2'-cyano(1,1'-biphenyl)-4-yl)methyl)-2-ethoxy-ethylester

32. 1h-benzimidazole-7-carboxylic Acid,1-((2-cyano(1,1-biphenyl)-4-yl)methyl)-2-ethoxy-ethylester

33. 1h-benzimidazole-7-carboxylicacid,1-[(2 Inverted Exclamation Mark -cyano[1,1 Inverted Exclamation Mark -biphenyl]-4-yl)methyl]-2-ethoxy-,ethyl Este

34. Ethyl 1-((2\'-cyano-[1,1\'-biphenyl]-4-yl)methyl)-2-ethoxy-1h-benzo[d]imidazole-7-carboxylate

35. Ethyl 1-({2'-cyano-[1,1'-biphenyl]-4-yl}methyl)-2-ethoxy-1h-1,3-benzodiazole-7-carboxylate

36. Ethyl 3-[[4-(2-cyanophenyl)phenyl]methyl]-2-ethoxy-benzimidazole-4-carboxylate;ethyl 1-((2'-cyano-[1,1'-biphenyl]-4-yl)methyl)-2-ethoxy-1h-benzo[d]imidazole-7-carboxylate

37. Ethyl1-((2'-cyano-[1,1'-biphenyl]-4-yl)methyl)-2-ethoxy-1h-benzo[d]imidazole-7-carboxylate

2.3 Create Date

2007-02-09

3 Chemical and Physical Properties

Molecular Formula	C₂₆H₂₃N₃O₃
Molecular Weight	425.5 g/mol
XLogP3	5.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	8
Exact Mass	425.17394160 g/mol
Monoisotopic Mass	425.17394160 g/mol
Topological Polar Surface Area	77.1 Å²
Heavy Atom Count	32
Formal Charge	0
Complexity	669
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