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Details

Stereochemistry ACHIRAL
Molecular Formula C11H10F3N3
Molecular Weight 241.2124
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-(4-METHYL-1H-IMIDAZOL-1-YL)-5-(TRIFLUOROMETHYL)ANILINE

SMILES

CC1=CN(C=N1)C2=CC(N)=CC(=C2)C(F)(F)F

InChI

InChIKey=WWTGXYAJVXKEKL-UHFFFAOYSA-N
InChI=1S/C11H10F3N3/c1-7-5-17(6-16-7)10-3-8(11(12,13)14)2-9(15)4-10/h2-6H,15H2,1H3

HIDE SMILES / InChI

Molecular Formula C11H10F3N3
Molecular Weight 241.2124
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 11:01:09 GMT 2023
Edited
by admin
on Sat Dec 16 11:01:09 GMT 2023
Record UNII
5LLI0Q7APP
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-(4-METHYL-1H-IMIDAZOL-1-YL)-5-(TRIFLUOROMETHYL)ANILINE
Systematic Name English
NILOTINIB RELATED COMPOUND A [USP-RS]
Common Name English
NILOTINIB HYDROCHLORIDE MONOHYDRATE IMPURITY A [EP IMPURITY]
Common Name English
BENZENAMINE, 3-(4-METHYL-1H-IMIDAZOL-1-YL)-5-(TRIFLUOROMETHYL)
Systematic Name English
Code System Code Type Description
CAS
641571-11-1
Created by admin on Sat Dec 16 11:01:09 GMT 2023 , Edited by admin on Sat Dec 16 11:01:09 GMT 2023
PRIMARY
EPA CompTox
DTXSID10475604
Created by admin on Sat Dec 16 11:01:09 GMT 2023 , Edited by admin on Sat Dec 16 11:01:09 GMT 2023
PRIMARY
RS_ITEM_NUM
1463439
Created by admin on Sat Dec 16 11:01:09 GMT 2023 , Edited by admin on Sat Dec 16 11:01:09 GMT 2023
PRIMARY
FDA UNII
5LLI0Q7APP
Created by admin on Sat Dec 16 11:01:09 GMT 2023 , Edited by admin on Sat Dec 16 11:01:09 GMT 2023
PRIMARY
PUBCHEM
12002825
Created by admin on Sat Dec 16 11:01:09 GMT 2023 , Edited by admin on Sat Dec 16 11:01:09 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP