6-amino-1H-benzimidazole-2-carboxylic acid
CAS No.：
Cat. No.: SC251174
Available on Request
Price on Request
Contact us for pricing, MOQ, and lead time
Product Name :6-amino-1H-benzimidazole-2-carboxylic acid
Cat. No.: :SC251174
Purity / Specification :—
CAS No. :372953-13-4
MDL No. :MFCD06797234
Molecular Formula :C8H7N3O2
LogP :0.70
Molecular Weight :177.16
TPSA :92.0
Category :CRO / Contract Research
HSN Code :—
SMILES Code :C1=CC2=C(C=C1N)NC(=N2)C(=O)O
Melting Point :—
InChI Key : :JXXWTOCDJBQRHK-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✓ 177.2 Da
LogP ≤ 5✓ 0.70
HBD ≤ 5✓ 3
HBA ≤ 10✓ 4
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i61/100
Moderate — typical building block
Predicted LogP
i0.70log units
Optimal range (0–3)
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS− unlikely
TPSA 92.0Ų · 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.