Methyl 2-Oxo-2,3-dihydrobenzimidazole-4-carboxylate - CAS 860187-45-7
Catalog: |
BB037800 |
Product Name: |
Methyl 2-Oxo-2,3-dihydrobenzimidazole-4-carboxylate |
CAS: |
860187-45-7 |
Synonyms: |
2-oxo-1,3-dihydrobenzimidazole-4-carboxylic acid methyl ester; methyl 2-oxo-1,3-dihydrobenzimidazole-4-carboxylate |
IUPAC Name: | methyl 2-oxo-1,3-dihydrobenzimidazole-4-carboxylate |
Description: | Methyl 2-Oxo-2,3-dihydrobenzimidazole-4-carboxylate (CAS# 860187-45-7) is a useful research chemical. |
Molecular Weight: | 192.17 |
Molecular Formula: | C9H8N2O3 |
Canonical SMILES: | COC(=O)C1=C2C(=CC=C1)NC(=O)N2 |
InChI: | InChI=1S/C9H8N2O3/c1-14-8(12)5-3-2-4-6-7(5)11-9(13)10-6/h2-4H,1H3,(H2,10,11,13) |
InChI Key: | BULWXRHKQXZHJY-UHFFFAOYSA-N |
MDL: | MFCD22562103 |
LogP: | 1.05510 |
Publication Number | Title | Priority Date |
AU-2014283879-A1 | Benzimidazole-2-piperazine heterocyclic compound, pharmaceutical composition thereof, preparation method and use thereof | 20130617 |
AU-2014283879-B2 | Benzimidazole-2-piperazine heterocyclic compound, pharmaceutical composition thereof, preparation method and use thereof | 20130617 |
CA-2915319-A1 | Benzimidazole-2-piperazine heterocyclic compound, pharmaceutical composition containing the same, preparation method and use thereof | 20130617 |
CA-2915319-C | Benzimidazole-2-piperazine heterocyclic compound, pharmaceutical composition containing the same, preparation method and use thereof | 20130617 |
CN-104981468-A | Benzimidazole-2-piperazine heterocyclic compound, pharmaceutical composition thereof, preparation method and use thereof | 20130617 |
Complexity: | 267 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 192.05349212 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 192.05349212 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 67.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.4 |
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