1-imidazol-1-yl-N,N-dimethylmethanamine

CAS No.：

Cat. No.: SCC251085

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Product Name :1-imidazol-1-yl-N,N-dimethylmethanamine

Cat. No.: :SCC251085

Purity / Specification :—

CAS No. :23230-39-9

MDL No. :MFCD00961627

Molecular Formula :C₆H₁₁N₃

LogP :0.10

Molecular Weight :125.17

TPSA :21.1

Category :Building Blocks

HSN Code :—

SMILES Code :CN(C)Cn1ccnc1

Melting Point :—

InChI Key : :VANQIHUBDZAOOM-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✓ 125.2 Da

LogP ≤ 5✓ 0.10

HBD ≤ 5✓ 0

HBA ≤ 10✓ 2

Max 1 violation allowed for oral bioavailability.

Drug-likeness Score

48/100

Fragment / low drug-likeness

Predicted LogP

0.10log units

Optimal range (0–3)

CNS Permeability

Clark model · J Pharm Sci, 1999

CNS+ likely

TPSA 21.1Å² · 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.