CAS 211915-84-3

DRL offers a portfolio of products & services, including APIs, CMO services, generics, biosimilars & differentiated formulations.

Virtual Booth

Contact Supplier

Valsynthese, part of the SSE Group, is a CDMO focused on highly energetic and highly hazardous chemistry.

CHEMISTRY

Discover Molecule Insights

BUILDING BLOCK

14 Suppliers, 14 End Use APIs, 111 Related Intermediates

14 Suppliers
14 End Use APIs
111 Related Intermediates

MARKET PLACE

2 Intermediates

2 Intermediates

Chemistry

Click the arrow to open the dropdown

Click the button for full data set

Also known as: 211915-84-3, 3-[[[2-[[(4-cyanophenyl)amino]methyl]-1-methyl-1h-benzimidazol-5-yl]carbonyl]pyridin-2-ylamino]propionic acid ethyl ester, Ethyl 3-[[2-[(4-cyanoanilino)methyl]-1-methylbenzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoate, Dabigatran impurity i, Ethyl 3-(2-((4-cyanophenylamino)methyl)-1-methyl-n-(pyridin-2-yl)-1h-benzo[d]imidazole-5-carboxamido)propanoate, 3-({2-[(4-cyano-phenylamino)-methyl]-1-methyl-1h-benzoimidazole-5-carbonyl}-pyridin-2-yl-amino)-propionic acid ethyl ester

Molecular Formula

C₂₇H₂₆N₆O₃

Molecular Weight

482.5 g/mol

InChI Key

OZBOESGNDSVMDK-UHFFFAOYSA-N

1 2D Structure

CAS 211915-84-3

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

ethyl 3-[[2-[(4-cyanoanilino)methyl]-1-methylbenzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoate

2.1.2 InChI

InChI=1S/C27H26N6O3/c1-3-36-26(34)13-15-33(24-6-4-5-14-29-24)27(35)20-9-12-23-22(16-20)31-25(32(23)2)18-30-21-10-7-19(17-28)8-11-21/h4-12,14,16,30H,3,13,15,18H2,1-2H3

2.1.3 InChI Key

OZBOESGNDSVMDK-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCOC(=O)CCN(C1=CC=CC=N1)C(=O)C2=CC3=C(C=C2)N(C(=N3)CNC4=CC=C(C=C4)C#N)C

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 211915-84-3

2. 3-[[[2-[[(4-cyanophenyl)amino]methyl]-1-methyl-1h-benzimidazol-5-yl]carbonyl]pyridin-2-ylamino]propionic Acid Ethyl Ester

3. Ethyl 3-[[2-[(4-cyanoanilino)methyl]-1-methylbenzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoate

4. Dabigatran Impurity I

5. Ethyl 3-(2-((4-cyanophenylamino)methyl)-1-methyl-n-(pyridin-2-yl)-1h-benzo[d]imidazole-5-carboxamido)propanoate

6. 3-({2-[(4-cyano-phenylamino)-methyl]-1-methyl-1h-benzoimidazole-5-carbonyl}-pyridin-2-yl-amino)-propionic Acid Ethyl Ester

7. 3-((2-[(4-cyano-phenylamino)-methyl]-1-methyl-1h-benzoimidazole-5-carbonyl)-pyridin-2-yl-amino)-propionic Acid Ethyl Ester

8. Cid 11627749

9. Dabigatran Intermediate 3

10. Schembl505917

11. Ozboesgndsvmdk-uhfffaoysa-

12. Amy4165

13. Dtxsid90469667

14. Bcp27981

15. Cs-m2456

16. Mfcd09833627

17. Zinc22011578

18. Akos015891389

19. Ac-7905

20. 3-({2-[(4-cyano-phenylamino)-methyl]-1-methyl-1h-benzoimidazole-5-carbonyl]pyridin-2-ylamino)propion

21. Ds-18531

22. Ethyl 3-(2-((4-cyanophenylamino)methyl)-1-methyl-n-(pyridin-2-yl)-1h-benzo[d]imidazole-5-carboxamido

23. Db-003914

24. A4584

25. Ft-0687614

26. Deacetamidine Cyano Dabigatran Ethyl Ester-[d3]

27. 915c843

28. Q-102528

29. 1-methyl-2-[n-(4-cyanophenyl)-aminomethyl]-benzimidazol-5-yl-carboxylic Acid-n-(2-pyridyl)-n-(2-ethoxycarbonylethyl)-amide

30. 1-methyl-2-[n-(4-cyanophenyl)aminomethyl]benzimidazol-5-yl-carboxylic Acid-n-(2-pyridyl)-n-(2-ethoxycarbonylethyl)amide

31. 3-((2-(((4-cyanophenyl)aminomethyl)-1-methyl-1h-benzimidazol-5-yl)carbonyl)pyridin-2-ylamino)propionic Acid Ethyl Ester

32. 3-[[[2-[[(4-cyanophenyl) Amino]methyl] -1-methyl- 1h- Benzimidazol-5-yl]carbonyl]pyridin-2-ylamino]propionic Acid Ethyl Ester

33. 3-[[[2-[[(4-cyanophenyl) Amino]methyl]-1-methyl-1h-benzimidazol-5-yl]carbonyl]pyridin-2-ylamino]propionic Acid Ethyl Ester

34. 3-[[[2-[[(4-cyanophenyl)amino]methyl]-1-methyl-1h-benzimidazol-5-yl]carbonyl]pyridin-2-ylamino]propanoic Acid Ethyl Ester

35. Ethyl 3-[[2-[(4-cyanoanilino)methyl]-1-methylbenzimidazole-5-carbonyl]-(2-pyridyl)amino]propanoate

36. Ethyl 3-{[(2-{[(4-cyanophenyl)amino]methyl}-1-methyl-1h-benzimidazol-5-yl)carbonyl](pyridin-2-yl)amino}propanoate

37. Ethyl N-{2-[(4-cyanoanilino)methyl]-1-methyl-1h-benzimidazole-5-carbonyl}-n-pyridin-2-yl-beta-alaninate

38. Ethyl3-(2-(((4-cyanophenyl)amino)methyl)-1-methyl-n-(pyridin-2-yl)-1h-benzo[d]imidazole-5-carboxamido)propanoate

39. N-(2-pyridyl)-n-(3-oxo-3-ethoxypropyl)-1-methyl-2-(4-cyanoanilinomethyl)-1h-benzoimidazole-5-carboxamide

2.3 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₂₇H₂₆N₆O₃
Molecular Weight	482.5 g/mol
XLogP3	3.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	10
Exact Mass	482.20663871 g/mol
Monoisotopic Mass	482.20663871 g/mol
Topological Polar Surface Area	113 Å²
Heavy Atom Count	36
Formal Charge	0
Complexity	792
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