Np mrd loader

Record Information
Version2.0
Created at2024-09-11 14:52:25 UTC
Updated at2024-09-11 14:52:26 UTC
NP-MRD IDNP0338315
Secondary Accession NumbersNone
Natural Product Identification
Common NameImazamethabenz
Description Imazamethabenz was first documented in 2013 (PMID: 23219405). Based on a literature review a small amount of articles have been published on Imazamethabenz (PMID: 28755697) (PMID: 26616105) (PMID: 26452836) (PMID: 28350086).
Structure
Thumb
SynonymsNot Available
Chemical FormulaC15H18N2O3
Average Mass274.3200 Da
Monoisotopic Mass274.13174 Da
IUPAC Name4-methyl-2-[5-methyl-4-oxo-5-(propan-2-yl)-4,5-dihydro-1H-imidazol-2-yl]benzoic acid
Traditional Name2-(4-isopropyl-4-methyl-5-oxo-3H-imidazol-2-yl)-4-methylbenzoic acid
CAS Registry NumberNot Available
SMILES
CC(C)C1(C)NC(=NC1=O)C1=C(C=CC(C)=C1)C(O)=O
InChI Identifier
InChI=1/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)
InChI KeyKFEFNHNXZQYTEW-UHFFFAOYNA-N
Experimental Spectra
Not Available
Predicted Spectra
Not Available
Chemical Shift Submissions
Not Available
Species
Species of OriginNot Available
Chemical Taxonomy
ClassificationNot classified
Physical Properties
StateNot Available
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted Properties
PropertyValueSource
logP2.47ChemAxon
pKa (Strongest Acidic)3.5ChemAxon
pKa (Strongest Basic)-2.6ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area78.76 ŲChemAxon
Rotatable Bond Count3ChemAxon
Refractivity75.4 m³·mol⁻¹ChemAxon
Polarizability29.32 ųChemAxon
Number of Rings2ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
HMDB IDNot Available
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FoodDB IDNot Available
KNApSAcK IDNot Available
Chemspider IDNot Available
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem CompoundNot Available
PDB IDNot Available
ChEBI IDNot Available
Good Scents IDNot Available
References
General References
  1. Burns EE, Keith BK, Refai MY, Bothner B, Dyer WE: Proteomic and biochemical assays of glutathione-related proteins in susceptible and multiple herbicide resistant Avena fatua L. Pestic Biochem Physiol. 2017 Aug;140:69-78. doi: 10.1016/j.pestbp.2017.06.007. Epub 2017 Jun 9. [PubMed:28755697 ]
  2. Christiansen A, Peterson A, Anderson SC, Lass R, Johnson M, Nienow AM: Analysis of the Photodegradation of the Imidazolinone Herbicides Imazamox, Imazapic, Imazaquin, and Imazamethabenz-methyl in Aqueous Solution. J Agric Food Chem. 2015 Dec 23;63(50):10768-77. doi: 10.1021/acs.jafc.5b04663. Epub 2015 Dec 9. [PubMed:26616105 ]
  3. Polo-Diez LM, Santos-Delgado MJ, Valencia-Cabrerizo Y, Leon-Barrios Y: Simultaneous enantiomeric determinations of acid and ester imidazolinone herbicides in a soil sample by two-dimensional direct chiral liquid chromatography. Talanta. 2015 Nov 1;144:375-81. doi: 10.1016/j.talanta.2015.06.062. Epub 2015 Jun 23. [PubMed:26452836 ]
  4. Pinna MV, Pusino A: Influence of the isomerism on the sorption of imazamethabenz-methyl by soil. Chemosphere. 2013 Apr;91(3):265-8. doi: 10.1016/j.chemosphere.2012.11.023. Epub 2012 Dec 6. [PubMed:23219405 ]
  5. Liu C, Mu C, Li Z, Xu L: Imazamethabenz inhibits human breast cancer cell proliferation, migration and invasion via combination with Pin1. Mol Med Rep. 2017 May;15(5):3210-3214. doi: 10.3892/mmr.2017.6399. Epub 2017 Mar 28. [PubMed:28350086 ]