Robenidine

C₁₅H₁₃Cl₂N₅ — CID 21419483

About Robenidine

Robenidine (PubChem CID 21419483) has the molecular formula C₁₅H₁₃Cl₂N₅ and a molecular weight of 334.21 g/mol. Its IUPAC name is 1,2-bis[(E)-(4-chlorophenyl)methylideneamino]guanidine.

Molecular Properties

• Compound Name: Robenidine
• PubChem CID: 21419483
• Molecular Formula: C₁₅H₁₃Cl₂N₅
• Molecular Weight: 334.21 g/mol
• Exact Mass: 333.05
• IUPAC Name: 1,2-bis[(E)-(4-chlorophenyl)methylideneamino]guanidine
• SMILES: N/C(=N/N=C/c1ccc(Cl)cc1)N/N=C/c1ccc(Cl)cc1
• InChI: InChI=1S/C15H13Cl2N5/c16-13-5-1-11(2-6-13)9-19-21-15(18)22-20-10-12-3-7-14(17)8-4-12/h1-10H,(H3,18,21,22)/b19-9+,20-10+
• InChIKey: MOOFYEJFXBSZGE-LQGKIZFRSA-N
• XLogP: 3.27
• TPSA: 75.13 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	334.21
LogP ≤ 5	3.27
H-Bond Donors ≤ 5	2
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Robenidine?

The IUPAC name of Robenidine (CID 21419483) is 1,2-bis[(E)-(4-chlorophenyl)methylideneamino]guanidine.

What is the SMILES notation for Robenidine?

The canonical SMILES for Robenidine is N/C(=N/N=C/c1ccc(Cl)cc1)N/N=C/c1ccc(Cl)cc1.

What is the InChIKey of Robenidine?

The InChIKey is MOOFYEJFXBSZGE-LQGKIZFRSA-N. The full InChI is InChI=1S/C15H13Cl2N5/c16-13-5-1-11(2-6-13)9-19-21-15(18)22-20-10-12-3-7-14(17)8-4-12/h1-10H,(H3,18,21,22)/b19-9+,20-10+.

What are the key properties of Robenidine?

Robenidine has a molecular weight of 334.21 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for Robenidine is sourced from PubChem (CID 21419483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 21419483 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 5613 — approved-drug record (CC BY-SA 4.0)

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