Di(imidazol-1-yl)methanimine
CAS No.：
Cat. No.: SC23353
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Product Name :Di(imidazol-1-yl)methanimine
Cat. No.: :SC23353
Purity / Specification :—
CAS No. :104619-51-4
MDL No. :MFCD10699388
Molecular Formula :C7H7N5
LogP :0.20
Molecular Weight :161.17
TPSA :59.5
Category :Building Blocks
HSN Code :—
SMILES Code :N=C(n1ccnc1)n1ccnc1
Melting Point :—
InChI Key : :FKGQRXQOODICAT-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✓ 161.2 Da
LogP ≤ 5✓ 0.20
HBD ≤ 5✓ 1
HBA ≤ 10✓ 3
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i63/100
Moderate — typical building block
Predicted LogP
i0.20log units
Optimal range (0–3)
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS+ likely
TPSA 59.5Ų · 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.