Hydroxystilbamidine

C₁₆H₁₆N₄O — CID 3654

About Hydroxystilbamidine

Hydroxystilbamidine (PubChem CID 3654) has the molecular formula C₁₆H₁₆N₄O and a molecular weight of 280.33 g/mol. Its IUPAC name is 4-[2-(4-carbamimidoylphenyl)ethenyl]-3-hydroxybenzenecarboximidamide.

Molecular Properties

• Compound Name: Hydroxystilbamidine
• PubChem CID: 3654
• Molecular Formula: C₁₆H₁₆N₄O
• Molecular Weight: 280.33 g/mol
• Exact Mass: 280.13
• IUPAC Name: 4-[2-(4-carbamimidoylphenyl)ethenyl]-3-hydroxybenzenecarboximidamide
• SMILES: [H]/N=C(\N)c1ccc(C=Cc2ccc(/C(N)=N/[H])cc2O)cc1
• InChI: InChI=1S/C16H16N4O/c17-15(18)12-5-2-10(3-6-12)1-4-11-7-8-13(16(19)20)9-14(11)21/h1-9,21H,(H3,17,18)(H3,19,20)
• InChIKey: TUESWZZJYCLFNL-UHFFFAOYSA-N
• XLogP: 2.13
• TPSA: 119.97 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	280.33
LogP ≤ 5	2.13
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Hydroxystilbamidine?

The IUPAC name of Hydroxystilbamidine (CID 3654) is 4-[2-(4-carbamimidoylphenyl)ethenyl]-3-hydroxybenzenecarboximidamide.

What is the SMILES notation for Hydroxystilbamidine?

The canonical SMILES for Hydroxystilbamidine is [H]/N=C(\N)c1ccc(C=Cc2ccc(/C(N)=N/[H])cc2O)cc1.

What is the InChIKey of Hydroxystilbamidine?

The InChIKey is TUESWZZJYCLFNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c17-15(18)12-5-2-10(3-6-12)1-4-11-7-8-13(16(19)20)9-14(11)21/h1-9,21H,(H3,17,18)(H3,19,20).

What are the key properties of Hydroxystilbamidine?

Hydroxystilbamidine has a molecular weight of 280.33 g/mol, XLogP of 2.13, 4 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for Hydroxystilbamidine is sourced from PubChem (CID 3654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 3654 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 1398 — approved-drug record (CC BY-SA 4.0)

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