1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

methyl 2-ethoxy-1H-benzimidazole-4-carboxylate

2.1.2 InChI

InChI=1S/C11H12N2O3/c1-3-16-11-12-8-6-4-5-7(9(8)13-11)10(14)15-2/h4-6H,3H2,1-2H3,(H,12,13)

2.1.3 InChI Key

MOPLKVMMSFGZIR-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCOC1=NC2=C(C=CC=C2N1)C(=O)OC

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 150058-27-8

2. Methyl 2-ethoxybenzimidazole-7-carboxylate

3. Methyl 2-ethoxy-1h-benzimidazole-4-carboxylate

4. 2-ethoxy-3h-benzimidazole-4-carboxylic Acid Methyl Ester

5. Methyl-2-ethoxybenzimidazole-7-carboxylate

6. 1h-benzimidazole-4-carboxylic Acid, 2-ethoxy-, Methyl Ester

7. 2-ethoxy-3h-benzoimidazole-4-carboxylic Acid Methyl Ester

8. Methyl 2-ethoxy-3h-benzo[d]imidazole-4-carboxylate

9. 1h-benzimidazole-7-carboxylic Acid, 2-ethoxy-, Methyl Ester

10. Schembl5271758

11. Dtxsid40576395

12. Amy22198

13. Bcp09973

14. Mfcd20527216

15. Zinc44136285

16. Akos015890395

17. Akos025149881

18. Ac-29235

19. Ds-18419

20. Methyl 2-ethoxybenzimidazole-4-carboxylate

21. Db-010922

22. Cs-0042042

23. Ft-0658090

24. 058m278

25. A809000

26. Methyl2-ethoxy-1h-benzo[d]imidazole-7-carboxylate

27. W-205700

28. Methyl 2-ethoxy-3ah-benzimidazole-4-carboxylate;methyl 2-ethoxy-1h-benzo[d]imidazole-7-carboxylate

2.3 Create Date

2007-02-12

3 Chemical and Physical Properties

Molecular Formula	C₁₁H₁₂N₂O₃
Molecular Weight	220.22 g/mol
XLogP3	2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	220.08479225 g/mol
Monoisotopic Mass	220.08479225 g/mol
Topological Polar Surface Area	64.2 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	260
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

CAS 150058-27-8

CAS 150058-27-8

CHEMISTRY

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