2-(4-bromophenyl)-1-methylimidazole
CAS No.：
Cat. No.: SC251141
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Product Name :2-(4-bromophenyl)-1-methylimidazole
Cat. No.: :SC251141
Purity / Specification :—
CAS No. :176961-54-9
MDL No. :MFCD16319576
Molecular Formula :C10H9BrN2
LogP :2.40
Molecular Weight :237.10
TPSA :17.8
Category :CRO / Contract Research
HSN Code :—
SMILES Code :CN1C=CN=C1C2=CC=C(C=C2)Br
Melting Point :—
InChI Key : :CUFBERNCIVESMY-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✓ 237.1 Da
LogP ≤ 5✓ 2.40
HBD ≤ 5✓ 0
HBA ≤ 10✓ 1
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i75/100
Good drug-like profile
Predicted LogP
i2.40log units
Optimal range (0–3)
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS+ likely
TPSA 17.8Ų · 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.