2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-fluorophenyl]-4,5-dihydro-1H-imidazole

CAS No.：

Cat. No.: SC25954

Available on Request

Price on Request

Bulk Inquiry

Product Name :2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-fluorophenyl]-4,5-dihydro-1H-imidazole

Cat. No.: :SC25954

Purity / Specification :—

CAS No. :681847-92-7

MDL No. :—

Molecular Formula :C₁₈H₁₈BrFN₂O

LogP :3.90

Molecular Weight :377.26

TPSA :33.6

Category :Building Blocks

HSN Code :—

SMILES Code :COC1=C(C=C(C=C1)Br)CCC2=C(C=CC=C2F)C3=NCCN3

Melting Point :—

InChI Key : :WCPPZGPJRHLSKP-UHFFFAOYSA-N

Boiling Point :No data available

Application Note

AI Generated

Generated by AI. Verify before use in regulatory documents.

Lipinski & ADMET Properties

Computational estimate

Lipinski Rule of 5

✓ PASS

MW ≤ 500 Da✓ 377.3 Da

LogP ≤ 5✓ 3.90

HBD ≤ 5✓ 1

HBA ≤ 10✓ 3

Max 1 violation allowed for oral bioavailability.

Drug-likeness Score

76/100

Good drug-like profile

Predicted LogP

3.90log units

Lipophilic

CNS Permeability

Clark model · J Pharm Sci, 1999

CNS+ likely

TPSA 33.6Å² · 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.