1.0 2010-04-08 22:10:43 UTC 2015-07-20 22:59:23 UTC FDB013460 Imazamethabenz Herbicidal metabolite of imazamethabenz-methyl. Acetolactate synthase inhibitor 2-[4,5-Dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl]-4(5)-methylbenzoic acid, 9CI AC 263840 CL 263840 Imazamethabenz [iso] C15H18N2O3 274.315 274.131742452 4-methyl-2-[5-methyl-4-oxo-5-(propan-2-yl)-4,5-dihydro-1H-imidazol-2-yl]benzoic acid 2-(4-isopropyl-4-methyl-5-oxo-3H-imidazol-2-yl)-4-methylbenzoic acid 100728-84-5 CC(C)C1(C)NC(=NC1=O)C1=C(C=CC(C)=C1)C(O)=O InChI=1S/C15H18N2O3/c1-8(2)15(4)14(20)16-12(17-15)11-7-9(3)5-6-10(11)13(18)19/h5-8H,1-4H3,(H,18,19)(H,16,17,20) KFEFNHNXZQYTEW-UHFFFAOYSA-N belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof. Alpha amino acids and derivatives Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Aromatic heteromonocyclic compounds Azacyclic compounds Benzoic acids Benzoyl derivatives Carbonyl compounds Carboxamidines Carboximidamides Carboxylic acids Hydrocarbon derivatives Imidazolinones Imidazolyl carboxylic acids and derivatives Monocarboxylic acids and derivatives Organic oxides Organopnictogen compounds Propargyl-type 1,3-dipolar organic compounds Toluenes 2-imidazoline Alpha-amino acid or derivatives Amidine Aromatic heteromonocyclic compound Azacycle Benzenoid Benzoic acid Benzoic acid or derivatives Benzoyl Carbonyl group Carboximidamide Carboxylic acid Carboxylic acid amidine Hydrocarbon derivative Imidazolinone Imidazolyl carboxylic acid derivative Monocarboxylic acid or derivatives Monocyclic benzene moiety Organic 1,3-dipolar compound Organic nitrogen compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Propargyl-type 1,3-dipolar organic compound Toluene logp 2.34 ALOGPS logs -3.12 ALOGPS solubility 2.08e-01 g/l ALOGPS logp 2.47 ChemAxon pka_strongest_acidic 3.5 ChemAxon pka_strongest_basic 0.11 ChemAxon iupac 4-methyl-2-[5-methyl-4-oxo-5-(propan-2-yl)-4,5-dihydro-1H-imidazol-2-yl]benzoic acid ChemAxon average_mass 274.315 ChemAxon mono_mass 274.131742452 ChemAxon smiles CC(C)C1(C)NC(=NC1=O)C1=C(C=CC(C)=C1)C(O)=O ChemAxon formula C15H18N2O3 ChemAxon inchi InChI=1S/C15H18N2O3/c1-8(2)15(4)14(20)16-12(17-15)11-7-9(3)5-6-10(11)13(18)19/h5-8H,1-4H3,(H,18,19)(H,16,17,20) ChemAxon inchikey KFEFNHNXZQYTEW-UHFFFAOYSA-N ChemAxon polar_surface_area 78.76 ChemAxon refractivity 75.4 ChemAxon polarizability 29.3 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 5 ChemAxon donor_count 2 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 12712 Specdb::CMs 44072 Specdb::CMs 159133 Specdb::MsMs 69234 Specdb::MsMs 69235 Specdb::MsMs 69236 Specdb::MsMs 127458 Specdb::MsMs 127459 Specdb::MsMs 127460 Specdb::MsMs 3047615 Specdb::MsMs 3047616 Specdb::MsMs 3047617 Specdb::MsMs 3095488 Specdb::MsMs 3095489 Specdb::MsMs 3095490 HMDB34885 #<Reference:0x000055ce31db9408>