3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)aniline
CAS No.：
Cat. No.: SC23446
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Product Name :3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)aniline
Cat. No.: :SC23446
Purity / Specification :—
CAS No. :641571-11-1
MDL No. :MFCD1184623
Molecular Formula :C11H10F3N3
LogP :2.30
Molecular Weight :241.22
TPSA :43.8
Category :Building Blocks
HSN Code :—
SMILES Code :Cc1cn(-c2cc(N)cc(C(F)(F)F)c2)cn1
Melting Point :—
InChI Key : :WWTGXYAJVXKEKL-UHFFFAOYSA-N
Boiling Point :No data available
Application Note
AI GeneratedGenerated by AI. Verify before use in regulatory documents.
Lipinski & ADMET Properties
Computational estimateLipinski Rule of 5
iMW ≤ 500 Da✓ 241.2 Da
LogP ≤ 5✓ 2.30
HBD ≤ 5✓ 1
HBA ≤ 10✓ 5
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i85/100
Excellent drug-like profile
Predicted LogP
i2.30log units
Optimal range (0–3)
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS+ likely
TPSA 43.8Ų · Threshold: <60 CNS+ · 60–90 CNS± · >90 CNS−
Requires experimental confirmation.
⚠ These are computational estimates based on Lipinski & Veber physicochemical rules. They are not validated ADMET predictions and must not be used for clinical, regulatory, or safety decisions. For research use only.