Ethyl 2-Oxo-2,3-dihydrobenzimidazole-5-carboxylate - CAS 634602-84-9
Catalog: |
BB032157 |
Product Name: |
Ethyl 2-Oxo-2,3-dihydrobenzimidazole-5-carboxylate |
CAS: |
634602-84-9 |
Synonyms: |
2-oxo-1,3-dihydrobenzimidazole-5-carboxylic acid ethyl ester; ethyl 2-oxo-1,3-dihydrobenzimidazole-5-carboxylate |
IUPAC Name: | ethyl 2-oxo-1,3-dihydrobenzimidazole-5-carboxylate |
Description: | Ethyl 2-Oxo-2,3-dihydrobenzimidazole-5-carboxylate (CAS# 634602-84-9) is a useful research chemical. |
Molecular Weight: | 206.20 |
Molecular Formula: | C10H10N2O3 |
Canonical SMILES: | CCOC(=O)C1=CC2=C(C=C1)NC(=O)N2 |
InChI: | InChI=1S/C10H10N2O3/c1-2-15-9(13)6-3-4-7-8(5-6)12-10(14)11-7/h3-5H,2H2,1H3,(H2,11,12,14) |
InChI Key: | OUTDXJNOFZUMGN-UHFFFAOYSA-N |
MDL: | MFCD24390430 |
LogP: | 1.44520 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2020207764-A1 | Dihydrobenzimidazolones for medical treatment | 20170904 |
WO-2019043217-A1 | DIHYDROBENZIMIDAZOLONES | 20170904 |
EP-3679027-A1 | Dihydrobenzimidazolones | 20170904 |
EP-3464270-A2 | Heterocyclic inhibitors of cbp/ep300 and their use in the treatment of cancer | 20160524 |
WO-2017205536-A2 | Therapeutic compounds and uses thereof | 20160524 |
Complexity: | 280 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 206.06914219 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 206.06914219 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 67.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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