5-Methyl-4-imidazolecarboxylic Acid - CAS 1457-59-6
Catalog: |
BB010002 |
Product Name: |
5-Methyl-4-imidazolecarboxylic Acid |
CAS: |
1457-59-6 |
Synonyms: |
5-methyl-1H-imidazole-4-carboxylic acid; 5-methyl-1H-imidazole-4-carboxylic acid |
IUPAC Name: | 5-methyl-1H-imidazole-4-carboxylic acid |
Description: | 5-Methyl-4-imidazolecarboxylic Acid (CAS# 1457-59-6) is used in preparation of Cyclohexyl Benzamide compounds for treatment of type II diabetes. Also, used in preparation of Triazolylphenyl substituted Amides as apoptosis signal-regulating kinase inhibitors. |
Molecular Weight: | 126.11 |
Molecular Formula: | C5H6N2O2 |
Canonical SMILES: | CC1=C(N=CN1)C(=O)O |
InChI: | InChI=1S/C5H6N2O2/c1-3-4(5(8)9)7-2-6-3/h2H,1H3,(H,6,7)(H,8,9) |
InChI Key: | ULHLTDXPKWELHQ-UHFFFAOYSA-N |
Boiling Point: | 458.2 °C at 760 mmHg |
Density: | 1.404 g/cm3 |
MDL: | MFCD00233368 |
LogP: | 0.41630 |
Publication Number | Title | Priority Date |
JP-2019029184-A | Lithium secondary battery and manufacturing method thereof | 20170731 |
WO-2018235813-A1 | IMIDAZOLE DERIVATIVE AND MEDICINE COMPRISING THE SAME | 20170621 |
JP-2020142989-A | Imidazole derivatives and drugs containing them | 20170621 |
KR-20180062786-A | Slurry composition for chemical mechanical polishing and polishing method using the same | 20161201 |
CN-109715609-A | Cyclohexylbenzoyl amine compounds | 20160722 |
PMID | Publication Date | Title | Journal |
18594711 | 20080721 | Complete and 'incomplete' [2 x 2] grids by self-assembly with a sterically hindered ditopic imidazole hydrazone ligand--structural and magnetic studies | Dalton transactions (Cambridge, England : 2003) |
Complexity: | 126 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 126.042927438 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 126.042927438 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 66 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.3 |
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