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

Details

Stereochemistry ACHIRAL
Molecular Formula C15H12ClF2N3O2S
Molecular Weight 371.789
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-[[(4-Chloro-3-methoxy-2-pyridinyl)methyl]thio]-6-(difluoromethoxy)-1H-benzimidazole

SMILES

COC1=C(CSC2=NC3=C(N2)C=CC(OC(F)F)=C3)N=CC=C1Cl

InChI

InChIKey=SEHIARBDRGKABK-UHFFFAOYSA-N
InChI=1S/C15H12ClF2N3O2S/c1-22-13-9(16)4-5-19-12(13)7-24-15-20-10-3-2-8(23-14(17)18)6-11(10)21-15/h2-6,14H,7H2,1H3,(H,20,21)

HIDE SMILES / InChI

Molecular Formula C15H12ClF2N3O2S
Molecular Weight 371.789
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 19:09:06 GMT 2025
Edited
by admin
on Wed Apr 02 19:09:06 GMT 2025
Record UNII
H493W9854J
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-[[(4-Chloro-3-methoxy-2-pyridinyl)methyl]thio]-6-(difluoromethoxy)-1H-benzimidazole
Systematic Name English
1H-Benzimidazole, 2-[[(4-chloro-3-methoxy-2-pyridinyl)methyl]thio]-6-(difluoromethoxy)-
Preferred Name English
Code System Code Type Description
CAS
368890-20-4
Created by admin on Wed Apr 02 19:09:06 GMT 2025 , Edited by admin on Wed Apr 02 19:09:06 GMT 2025
PRIMARY
EPA CompTox
DTXSID80433216
Created by admin on Wed Apr 02 19:09:06 GMT 2025 , Edited by admin on Wed Apr 02 19:09:06 GMT 2025
PRIMARY
PUBCHEM
9947631
Created by admin on Wed Apr 02 19:09:06 GMT 2025 , Edited by admin on Wed Apr 02 19:09:06 GMT 2025
PRIMARY
FDA UNII
H493W9854J
Created by admin on Wed Apr 02 19:09:06 GMT 2025 , Edited by admin on Wed Apr 02 19:09:06 GMT 2025
PRIMARY