Imazamethabenz

Synonyms: Imazamethabenz, "p-Imazamethabenz", "4-methyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)benzoic acid", "para-imazamethabenz", "p-imazamethabenz-acid", "p-imazamethabenz acid", "para-imazamethabenz-acid", "para-imazamethabenz acid"

Source: Imazamethabenz is an herbicide.

Identifiers:

IUPAC Name: 4-methyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)benzoic acid
CAS Number: 89318-82-1
PubChem ID: 3034382
InChiKey: KFEFNHNXZQYTEW-UHFFFAOYSA-N
Canonical SMILES: CC1=CC(=C(C=C1)C(=O)O)C2=NC(C(=O)N2)(C)C(C)C

Structural Properties:

Molecular Formula: C₁₅H₁₈N₂O₃
Molecular Weight: 274,310

Pharmacophore Features:

Number of bond donors: 2
Number of bond acceptors: 4
Number of atoms different from hydrogen: 20

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2D structure (.sdf)
3D structure (.sdf)
3D structure (.mol2)
3D structure (.pdb)
3D structure (.pdbqt)

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Evidence Supporting This Chemical as an Emerging Contaminant

Syakti, A. D., Ahmed, M. M., Hidayati, N. V., Hilmi, E., Sulystyo, I., Piram, A., & Doumenq, P. (2013). Screening of emerging pollutants in the mangrove of Segara Anakan Nature Reserve, Indonesia. IERI Procedia, 5, 216-222.

External Links

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2D-structure

3D-structure