Chemical identity

3-(4-Methyl-1H-imidazol-1-YL)-5-(trifluoromethyl)benzonitrile

CAS 641571-12-2 · C12H8F3N3

01Identity

Identifiers and names for this exact compound. Empty fields are left unassigned.

Lazychem IDLC-23439
PubChem CID46900393
Name3-(4-Methyl-1H-imidazol-1-YL)-5-(trifluoromethyl)benzonitrile
CAS RN641571-12-2
Molecular formulaC12H8F3N3
Molecular weight251.21 g/mol
IUPAC name3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)benzonitrile
InChIKeyPTMHYQUJHLKUCC-UHFFFAOYSA-N

02Structure identifiers

2D structurePubChem CID 46900393
Two-dimensional chemical structure of 3-(4-Methyl-1H-imidazol-1-YL)-5-(trifluoromethyl)benzonitrile, CAS 641571-12-2
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 2 rings, includes aromatic atoms, includes aliphatic carbon, contains at least one halogen atom. These statements are calculated from the published structure string.

Defined stereocentres0
Unassigned stereocentres0
Ring count2
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESCC1=CN(C=N1)C2=CC(=CC(=C2)C(F)(F)F)C#N
InChINot listed
Formula from structureC12H8F3N3
Molecular weight from structure251.21 g/mol

03India status for this compound

These results apply only to this exact compound name and CAS number. Confirm the current official instruments before making a regulatory decision.

NDPS / RCSNO EXACT MATCH FOUNDCAS 641571-12-2 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 641571-12-2 has no exact match in the reviewed SCOMET list.
Review date2026-08-01Recheck the current official instruments for the material, concentration, activity and date in question.

04Names and relationships

Associated parent compound

Nilotinib

View API and impurity family

Other names

  • Nilotinib Impurity 12
  • 3-(4-Methyl-1H-imidazol-1-YL)-5-(trifluoromethyl)benzonitrile
  • 641571-12-2
  • 3-(4-METHYLIMIDAZOL-1-YL)-5-(TRIFLUOROMETHYL)BENZONITRILE
  • Benzonitrile, 3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)-
  • MFCD10000967
  • Nilotinib Impurity 13
  • PZ9YT69J8U
  • SCHEMBL1505806
  • SCHEMBL30536576
  • DTXSID90677149
  • AKOS027380129

Related records from the same parent family

05Documented history

Dated discovery, occurrence, use and issue claims are published only when a suitable primary or government source is available.

No dated history available

No verified discovery, first report, occurrence, use or issue event is currently available for this identity.

06Sources