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Details

Stereochemistry ACHIRAL
Molecular Formula C21H23BrF2N4O3
Molecular Weight 497.333
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-[(4-Bromo-2-fluorophenyl)amino]-N-[2-(1,1-dimethylethoxy)ethoxy]-4-fluoro-1-methyl-1H-benzimidazole-6-carboxamide

SMILES

CN1C=NC2=C(F)C(NC3=C(F)C=C(Br)C=C3)=C(C=C12)C(=O)NOCCOC(C)(C)C

InChI

InChIKey=MZHRFHRSYBBMON-UHFFFAOYSA-N
InChI=1S/C21H23BrF2N4O3/c1-21(2,3)30-7-8-31-27-20(29)13-10-16-19(25-11-28(16)4)17(24)18(13)26-15-6-5-12(22)9-14(15)23/h5-6,9-11,26H,7-8H2,1-4H3,(H,27,29)

HIDE SMILES / InChI

Molecular Formula C21H23BrF2N4O3
Molecular Weight 497.333
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 19:21:54 GMT 2023
Edited
by admin
on Sat Dec 16 19:21:54 GMT 2023
Record UNII
V2Z4R9Y244
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5-[(4-Bromo-2-fluorophenyl)amino]-N-[2-(1,1-dimethylethoxy)ethoxy]-4-fluoro-1-methyl-1H-benzimidazole-6-carboxamide
Systematic Name English
1H-Benzimidazole-6-carboxamide, 5-[(4-bromo-2-fluorophenyl)amino]-N-[2-(1,1-dimethylethoxy)ethoxy]-4-fluoro-1-methyl-
Systematic Name English
Code System Code Type Description
CAS
1604812-70-5
Created by admin on Sat Dec 16 19:21:54 GMT 2023 , Edited by admin on Sat Dec 16 19:21:54 GMT 2023
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FDA UNII
V2Z4R9Y244
Created by admin on Sat Dec 16 19:21:54 GMT 2023 , Edited by admin on Sat Dec 16 19:21:54 GMT 2023
PRIMARY
PUBCHEM
73775787
Created by admin on Sat Dec 16 19:21:54 GMT 2023 , Edited by admin on Sat Dec 16 19:21:54 GMT 2023
PRIMARY
EPA CompTox
DTXSID201106617
Created by admin on Sat Dec 16 19:21:54 GMT 2023 , Edited by admin on Sat Dec 16 19:21:54 GMT 2023
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