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

CAS No.：

Cat. No.: SC25953

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

Cat. No.: :SC25953

Purity / Specification :—

CAS No. :1706524-94-8

MDL No. :—

Molecular Formula :C₁₈H₁₉BrClFN₂O

LogP :4.15

Molecular Weight :413.71

TPSA :33.6

Category :Building Blocks

HSN Code :—

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

Melting Point :—

InChI Key : :KZUMGPQDDCBFBF-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✓ 413.7 Da

LogP ≤ 5✓ 4.15

HBD ≤ 5✓ 2

HBA ≤ 10✓ 3

Max 1 violation allowed for oral bioavailability.

Drug-likeness Score

68/100

Moderate — typical building block

Predicted LogP

4.15log 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.