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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 59336217Generated: October 23, 2026

methyl 4-fluoro-1-methyl-5-(phenylamino)-1H-benzo[d]imidazole-6-carboxylate

Triadimefon Impurity 4 (Bitertanol) · Methyl 4-fluoro-1-Methyl-5-(phenylaMino)-1H-benzo[d]iMidazole-6-carboxylate · 1H-Benzimidazole-6-carboxylic acid, 4-fluoro-1-methyl-5-(phenylamino)-, methyl ester

https://huagongshe.com/en/chemical/59336217

methyl 4-fluoro-1-methyl-5-(phenylamino)-1H-benzo[d]imidazole-6-carboxylate molecular structure

Identifiers & Physical Properties

CAS No.1415564-48-5
Molecular formulaC16H14FN3O2
Average molar mass299.3 g/mol
Monoisotopic mass299.10700486 g/mol
SMILESCOC(=O)c1cc2c(ncn2C)c(F)c1Nc1ccccc1
InChIKeyQKGGOULHLAXMCL-UHFFFAOYSA-N
PubChem CID59336217
ChEMBLCHEMBL4945569
DTXSIDDTXSID501128995

Chemical & Physical Properties

XLogP3.5
Topological polar surface area56.2
Hydrogen bond donors1
Hydrogen bond acceptors5
Rotatable bonds4
Heavy atoms22
Formal charge0
Complexity403
Boiling point454.1±55.0 °C(Predicted)
Density1.30±0.1 g/cm3(Predicted)
pKa (acidity coefficient)3.32±0.10(Predicted)