104098-48-8
Product Name:
Imazameth
Formula:
C14H17N3O3
Synonyms:
2-(4-Isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-5-methylnicotinic acid;2-[4,5-Dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl]-5-methyl-3-pyridinecarboxylic acid
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Color/Form | Off-white to tan powder |
|---|---|
| Odor | Odorless |
| Melting Point | 204-206 °C |
| Solubility | In acetone, 18.9 mg/mL at 25 °C |
| LogP | log Kow = 0.393 (pH 4, 5, 6 buffer, 25 °C) |
| Stability/Shelf Life | Stable for greater than or equal to 24 months at 25 °C. |
| Dissociation Constants | pKa1 = 2.0; pKa2 = 3.6; pKa3 = 11.1 |
COMPUTED DESCRIPTORS
| Molecular Weight | 275.30 g/mol |
|---|---|
| XLogP3 | 1.6 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 275.12699141 g/mol |
| Monoisotopic Mass | 275.12699141 g/mol |
| Topological Polar Surface Area | 91.6 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 461 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
5-methyl-2-[4-methyl-5-oxo-4-(propan-2-yl)-4,5-dihydro-1H-imidazol-2-yl]pyridine-3-carboxylic acid is a pyridinemonocarboxylic acid that is 5-methylpyridine-3-carboxylic acid which is substituted at position 2 by a 4,5-dihydro-imidazol-2-yl group, which in turn is substituted at positions 4, 4, and 5 by isopropyl, methyl, and oxo groups, respectively. It is a pyridinemonocarboxylic acid, an imidazolone, a member of imidazolines and a member of methylpyridines.