U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C17H24BFN2O2
Molecular Weight 318.194
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-Fluoro-2-methyl-1-(1-methylethyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzimidazole

SMILES

CC(C)N1C(C)=NC2=C1C=C(C=C2F)B3OC(C)(C)C(C)(C)O3

InChI

InChIKey=HUSPISQCNSLJSR-UHFFFAOYSA-N
InChI=1S/C17H24BFN2O2/c1-10(2)21-11(3)20-15-13(19)8-12(9-14(15)21)18-22-16(4,5)17(6,7)23-18/h8-10H,1-7H3

HIDE SMILES / InChI

Molecular Formula C17H24BFN2O2
Molecular Weight 318.194
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 Wed Apr 02 20:12:26 GMT 2025
Edited
by admin
on Wed Apr 02 20:12:26 GMT 2025
Record UNII
QZ78M54NK6
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1H-Benzimidazole, 4-fluoro-2-methyl-1-(1-methylethyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
Preferred Name English
4-Fluoro-2-methyl-1-(1-methylethyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzimidazole
Systematic Name English
4-fluoro-2-methyl-1-(propan-2-yl)-6-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-1,3-benzodiazole
Systematic Name English
4-Fluoro-1-isopropyl-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzimidazole
Systematic Name English
4-Fluoro-1-isopropyl-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzo[d]imidazole
Systematic Name English
Code System Code Type Description
CAS
1231930-37-2
Created by admin on Wed Apr 02 20:12:26 GMT 2025 , Edited by admin on Wed Apr 02 20:12:26 GMT 2025
PRIMARY
FDA UNII
QZ78M54NK6
Created by admin on Wed Apr 02 20:12:26 GMT 2025 , Edited by admin on Wed Apr 02 20:12:26 GMT 2025
PRIMARY
PUBCHEM
67434758
Created by admin on Wed Apr 02 20:12:26 GMT 2025 , Edited by admin on Wed Apr 02 20:12:26 GMT 2025
PRIMARY