5-Acetyl-1-methylimidazole - CAS 20970-50-7
Catalog: |
BB016471 |
Product Name: |
5-Acetyl-1-methylimidazole |
CAS: |
20970-50-7 |
Synonyms: |
1-(3-methyl-4-imidazolyl)ethanone; 1-(3-methylimidazol-4-yl)ethanone |
IUPAC Name: | 1-(3-methylimidazol-4-yl)ethanone |
Description: | 5-Acetyl-1-methylimidazole (CAS# 20970-50-7 ) is a useful research chemical. |
Molecular Weight: | 124.14 |
Molecular Formula: | C6H8N2O |
Canonical SMILES: | CC(=O)C1=CN=CN1C |
InChI: | InChI=1S/C6H8N2O/c1-5(9)6-3-7-4-8(6)2/h3-4H,1-2H3 |
InChI Key: | DARZKTBWZJGBSD-UHFFFAOYSA-N |
LogP: | 0.62270 |
Publication Number | Title | Priority Date |
WO-2021032209-A1 | Anti-influenza virus compound, preparation method and use thereof | 20190822 |
EP-3342779-A1 | Inhibitors of transglutaminases | 20161227 |
US-2019322700-A1 | Inhibitors of transglutaminases | 20161227 |
WO-2018122419-A1 | Inhibitors of transglutaminases | 20161227 |
CN-107207481-B | 3- (4-ethynylphenyl) hexahydropyrimidine-2, 4-dione derivatives as modulators of MGLUR4 | 20150319 |
Complexity: | 124 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 124.063662883 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 124.063662883 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 34.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0 |
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