5-(hydroxymethyl)-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic Acid
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Basic information
- CAS
81335-78-6- Standard SMILES
CC(C)C1(C)N=C(c2ncc(CO)cc2C(=O)O)NC1=O- InChIKey
XQOJIMLCWGIOCP-UHFFFAOYSA-N- Molecular formula
- C14H17N3O4
- Average molar mass
- 291.3 g/mol
- Monoisotopic mass
- 291.12190603
Names & identifiers
- Preferred name
- 5-(hydroxymethyl)-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic Acid
- IUPAC
- 5-(hydroxymethyl)-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid
- English name
- 5-(hydroxymethyl)-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid
- Molecular formula
- C14H17N3O4
- Molecular weight
- 291.3
Names & synonyms
81335-78-6Desmethyl Imazamox5-(hydroxymethyl)-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic AcidImazamox-O-desmethyl8X2RL5MBJ45-(Hydroxymethyl)-2-(4-isopropyl-4-methyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl)nicotinic acid3-Pyridinecarboxylic acid, 2-(4,5-dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl)-5-(hydroxymethyl)-2-[4,5-Dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl]-5-(hydroxymethyl)-3-pyridinecarboxylic acid3-Pyridinecarboxylic acid, 2-[4,5-dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl]-5-(hydroxymethyl)-AC-5073UNII-8X2RL5MBJ4SCHEMBL10473029
Show more names
Imazamox Impurity 13Imazamox Metabolite M720H0015-(HydroxyMethyl)-2-(4isopropyl-4-Methyl-5-oxo-4,5-dihydro-1H-iMidazol-2-yl)nicotinicacid3-Pyridinecarboxylic acid,2-[4,5-dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl]-5-(hydroxymethyl)-
DTXSID00874546AKOS025402111NS001266965-(Hydroxymethyl)-2-[5-methyl-4-oxo-5-(propan-2-yl)-4,5-dihydro-1H-imidazol-2-yl]pyridine-3-carboxylic acid
Properties
Computed structural propertiesFilling in
- XLogP
- 0.3
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 477
Experimental & physicochemical properties
LogP-0.21
Physicochemical properties
- Melting point
- 170 · 170-171.5 °C
- Density
- 1.4 · 1.40±0.1 g/cm3(Predicted)
- pka
- 10.65 · 10.65±0.40(Predicted)
- FDA UNII
- 8 X2RL5MBJ4 · 8X2RL5MBJ4
- EPA Substance Registry System
- 3 · 3-Pyridinecarboxylic acid, 2-[4,5-dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl]-5-(hydroxymethyl)- (81335-78-6)
Chemistry & industry
Applications
UsesDesmethyl Imazamox is a metabolite of Imazamox (I268550) which is an imidazolinone based acetolactate synthase inhibitor that is utilized as a herbicide for weed control.
Related reactions
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Compound notes
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