Compound: Imazapic
SMILES: O=C1NC(c2ncc(C)cc2C(=O)O)=NC1(C(C)C)C
InChIKey: PVSGXWMWNRGTKE-UHFFFAOYSA-N
Synonyms: Imazapic, 104098-48-8, Imazameth, Imazmethapyr, Imazamethapyr, CADRE, FLAME, OROBAN, DTXSID5034270, AC 263222, K98N09T10R, 3-Pyridinecarboxylic acid, 2-(4,5-dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl)-5-methyl-, 2-(4-isopropyl-4-methyl-5-oxo-4,5-dihydro-1h-imidazol-2-yl)-5-methylnicotinic acid, AC-263222, DTXCID3014270, 5-methyl-2-(5-methyl-4-oxo-5-(propan-2-yl)-4,5-dihydro-1H-imidazol-2-yl)pyridine-3-carboxylic acid, 5-methyl-2-[5-methyl-4-oxo-5-(propan-2-yl)-4,5-dihydro-1H-imidazol-2-yl]pyridine-3-carboxylic acid, RefChem:790604, CHEBI:147366, 600-521-9, Imazapic [ISO], MFCD04307828, 2-(4-Isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-5-methylnicotinic acid, 5-methyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid, 81334-60-3, 3-Pyridinecarboxylic acid,2-[4,5-dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl]-5-methyl-, Cadre (trade name), UNII-K98N09T10R, HSDB 7955, Imazapic (Standard), SCHEMBL19154, (+/-)-IMAZAPIC, orb1307050, SCHEMBL9676745, CHEMBL2251718, SCHEMBL29371034, SCHEMBL29614946, HY-B1860R, CHEBI:147378, HY-B1860, MSK22511, Tox21_300901, AKOS015895345, AKOS040744264, CS-5209, MSK22511-1000A, NCGC00168318-01, NCGC00168318-02, NCGC00254805-01, 2-[4,5-Dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl]-5-methyl-3-pyridinecarboxylic acid, 5-methyl-2-[4-methyl-5-oxo-4-(propan-2-yl)-4,5-dihydro-1H-imidazol-2-yl]pyridine-3-carboxylic acid, BS-42479, DA-64409, SY428074, CAS-104098-48-8, Imazapic, PESTANAL(R), analytical standard, NS00001269, Imazapic Solution in Acetonitrile, 1000ug/mL, F88524, Q3396432, (rs)-2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-5-methylnicotinic acid, 2-(5-isopropyl-5-methyl-4-oxoimidazolin-2-yl)-5-methyl-3-pyridinecarboxylic acid, 5-METHYL-2-(4-ISOPROPYL-4-METHYL-5-OXO-2-IMIDAZOLIN-2-YL)NICOTINIC ACID, 3-Pyridinecarboxylic acid, 2-(4,5-dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl)-5-methyl-, (+-)-, 5-methyl-2-(4-methyl-5-oxidanylidene-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid
Theoretical properties:
molecular_formula: C14H17N3O3
molecular_weight: 275.30 g/mol
exact_mass: 275.12699141 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 2
hydrogen_bond_acceptor_count: 5
rotatable_bond_count: 3
heavy_atom_count: 20
topological_polar_surface_area: 91.7 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: Off-white to tan powder
color: Off-white to tan powder
odor: Odorless
melting_point: 204-206 °C
solubility: In acetone, 18.9 mg/mL at 25 °C
Descriptions:
pubchem: 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 an imidazolone, a member of methylpyridines, a pyridinemonocarboxylic acid and a member of imidazolines.
chebi: 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.
chembl: IMAZAPIC is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Imazapic is a chemical used as an herbicide.  It controls many broad leaf weeds and controls or suppresses some grasses in pasture, rangeland and certain types of turf.  It has a half-life of around 120 days in soil. Imazapic is considered an environmental hazard due to its harmful effects on aquatic life.
Imazapic's HRAC classification is Group B (global, Aus), Group 2 (numeric), as it inhibits acetohydroxyacid synthase.