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Details

Stereochemistry ACHIRAL
Molecular Formula C16H12BrF2N3O2
Molecular Weight 396.186
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of methyl 5-((4-bromo-2-fluorophenyl)amino)-4-fluoro-1-methyl-1H-benzo[d]imidazole-6-carboxylate

SMILES

COC(=O)C1=C(NC2=C(F)C=C(Br)C=C2)C(F)=C3N=CN(C)C3=C1

InChI

InChIKey=CLBKHICAWHYQLM-UHFFFAOYSA-N
InChI=1S/C16H12BrF2N3O2/c1-22-7-20-15-12(22)6-9(16(23)24-2)14(13(15)19)21-11-4-3-8(17)5-10(11)18/h3-7,21H,1-2H3

HIDE SMILES / InChI

Molecular Formula C16H12BrF2N3O2
Molecular Weight 396.186
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:22:08 GMT 2023
Edited
by admin
on Sat Dec 16 19:22:08 GMT 2023
Record UNII
QVD3BCV2UF
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
methyl 5-((4-bromo-2-fluorophenyl)amino)-4-fluoro-1-methyl-1H-benzo[d]imidazole-6-carboxylate
Systematic Name English
1H-Benzimidazole-6-carboxylic acid, 5-[(4-bromo-2-fluorophenyl)amino]-4-fluoro-1-methyl-, methyl ester
Systematic Name English
Methyl 5-[(4-bromo-2-fluorophenyl)amino]-4-fluoro-1-methyl-1H-benzimidazole-6-carboxylate
Systematic Name English
Code System Code Type Description
FDA UNII
QVD3BCV2UF
Created by admin on Sat Dec 16 19:22:08 GMT 2023 , Edited by admin on Sat Dec 16 19:22:08 GMT 2023
PRIMARY
PUBCHEM
73775786
Created by admin on Sat Dec 16 19:22:08 GMT 2023 , Edited by admin on Sat Dec 16 19:22:08 GMT 2023
PRIMARY