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CAS 150058-27-8
Also known as: 150058-27-8, Methyl 2-ethoxybenzimidazole-7-carboxylate, Methyl 2-ethoxy-1h-benzimidazole-4-carboxylate, 2-ethoxy-3h-benzimidazole-4-carboxylic acid methyl ester, Methyl-2-ethoxybenzimidazole-7-carboxylate, 1h-benzimidazole-4-carboxylic acid, 2-ethoxy-, methyl ester
Molecular Formula
C11H12N2O3
Molecular Weight
220.22  g/mol
InChI Key
MOPLKVMMSFGZIR-UHFFFAOYSA-N

1 2D Structure

CAS 150058-27-8

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 Weight 220.22 g/mol
Molecular Formula C11H12N2O3
XLogP32
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass220.08479225 g/mol
Monoisotopic Mass220.08479225 g/mol
Topological Polar Surface Area64.2 Ų
Heavy Atom Count16
Formal Charge0
Complexity260
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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