CAS 528560-93-2

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Also known as: 528560-93-2, Execute standard, Methyl 4'-[[2-n-propyl-4-methyl-6-(1-methylbenzimidazol-2-yl)-benzimidazol-1-yl]methyl]biphenyl-2-carboxylate, 9d4v6ku3ai, Methyl 2-[4-[[4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoate, J3.264.806a

Molecular Formula

C₃₄H₃₂N₄O₂

Molecular Weight

528.6 g/mol

InChI Key

HJCCZIABCSDUPE-UHFFFAOYSA-N

FDA UNII

9D4V6KU3AI

1 2D Structure

CAS 528560-93-2

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

methyl 2-[4-[[4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoate

2.1.2 InChI

InChI=1S/C34H32N4O2/c1-5-10-31-36-32-22(2)19-25(33-35-28-13-8-9-14-29(28)37(33)3)20-30(32)38(31)21-23-15-17-24(18-16-23)26-11-6-7-12-27(26)34(39)40-4/h6-9,11-20H,5,10,21H2,1-4H3

2.1.3 InChI Key

HJCCZIABCSDUPE-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)OC)C=C(C=C2C)C5=NC6=CC=CC=C6N5C

2.2 Other Identifiers

2.2.1 UNII

9D4V6KU3AI

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 528560-93-2

2. Execute Standard

3. Methyl 4'-[[2-n-propyl-4-methyl-6-(1-methylbenzimidazol-2-yl)-benzimidazol-1-yl]methyl]biphenyl-2-carboxylate

4. 9d4v6ku3ai

5. Methyl 2-[4-[[4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoate

6. J3.264.806a

7. (1,1'-biphenyl)-2-carboxylic Acid, 4'-((1,4'-dimethyl-2'-propyl(2,6'-bi-1h-benzimidazol)-1'-yl)methyl)-, Methyl Ester

8. 4'-((1,4'-dimethyl-2'-propyl-2,6'-bi(1h-benzoimidazole)-1'-yl)methyl)biphenyl-2-carboxylic Acid Methyl Ester

9. Methyl 4'-((1,7'-dimethyl-2'-propyl-1h,3'h-[2,5'-bibenzo[d]imidazol]-3'-yl)methyl)-[1,1'-biphenyl]-2-carboxylate

10. Methyl 4'-((2-propyl-4-methyl-6-(1-methylbenzimidazol-2-yl)benzimidazol-1-yl)methyl)biphenyl-2-carboxylate

11. Unii-9d4v6ku3ai

12. Schembl255337

13. Dtxsid40467572

14. Bcp12012

15. Zinc22063685

16. Akos015895469

17. Ac-8734

18. As-11336

19. Db-050073

20. Temisartan Impurity I [ep Impurity]

21. Ft-0652608

22. Ft-0672127

23. 132t224

24. A829283

25. Q27272380

26. 2-[4-[[4-methyl-6-(1-methyl-2-benzimidazolyl)-2-propyl-1-benzimidazolyl]methyl]phenyl]benzoic Acid Methyl Ester

27. 4'-(1,4'-dimethyl-2'-propyl-2,6'-bi[1h-benzoimidazole]-1'-ylmethyl)biphenyl-2-carboxylic Acid Methyl Ester

28. 4'-[[4-methyl-6-(1-methyl-1h-benzimidazol-2-yl)-2-propyl-1h-benzimidazol-1-yl]methyl]biphenyl-2-carboxylic Acid Methyl Ester

29. Methyl 4'-[(1,4'-dimethyl-2'-propyl[2,6'-bi-1h-benzimidazol]-1'-yl)methyl]-[1,1 '-biphenyl]-2-carboxylate

30. Methyl 4'-[[2-n-propyl-4-methyl-6-(1-methylbenzimidazol-2-yl)-benzimidazol-1-yl]methyl]biphenyl-2-carboxylate (telmisartan Methyl Ester)

31. Methyl 4-((1,7-dimethyl-2-propyl-1h,3h-(2,5-bibenzimidazol)-3-yl)methyl)(1,1-biphenyl)-2-carboxylate

2.4 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₃₄H₃₂N₄O₂
Molecular Weight	528.6 g/mol
XLogP3	7.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	8
Exact Mass	528.25252628 g/mol
Monoisotopic Mass	528.25252628 g/mol
Topological Polar Surface Area	61.9 Å²
Heavy Atom Count	40
Formal Charge	0
Complexity	846
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

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