Tert-butyl 4-[1-(2-ethoxyethyl)benzimidazol-2-yl]piperidine-1-carboxylate

CAS No.：

Cat. No.: SC261801

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Product Name :Tert-butyl 4-[1-(2-ethoxyethyl)benzimidazol-2-yl]piperidine-1-carboxylate

Cat. No.: :SC261801

Purity / Specification :—

CAS No. :1181267-36-6

MDL No. :MFCD26960659

Molecular Formula :C₂₁H₃₁N₃O₃

LogP :3.10

Molecular Weight :373.50

TPSA :56.6

Category :API Intermediates

HSN Code :—

SMILES Code :CCOCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nc2ccccc21

Melting Point :—

InChI Key : :WLBGIVZZFISEJL-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✓ 373.5 Da

LogP ≤ 5✓ 3.10

HBD ≤ 5✓ 0

HBA ≤ 10✓ 4

Max 1 violation allowed for oral bioavailability.

Drug-likeness Score

91/100

Excellent drug-like profile

Predicted LogP

3.10log units

Lipophilic

CNS Permeability

Clark model · J Pharm Sci, 1999

CNS+ likely

TPSA 56.6Å² · 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.