Apraclonidine

C₉H₁₀Cl₂N₄ — CID 2216

About Apraclonidine

Apraclonidine (PubChem CID 2216) has the molecular formula C₉H₁₀Cl₂N₄ and a molecular weight of 245.11 g/mol. Its IUPAC name is 2,6-dichloro-1-N-(4,5-dihydro-1H-imidazol-2-yl)benzene-1,4-diamine.

Molecular Properties

• Compound Name: Apraclonidine
• PubChem CID: 2216
• Molecular Formula: C₉H₁₀Cl₂N₄
• Molecular Weight: 245.11 g/mol
• Exact Mass: 244.03
• IUPAC Name: 2,6-dichloro-1-N-(4,5-dihydro-1H-imidazol-2-yl)benzene-1,4-diamine
• SMILES: Nc1cc(Cl)c(NC2=NCCN2)c(Cl)c1
• InChI: InChI=1S/C9H10Cl2N4/c10-6-3-5(12)4-7(11)8(6)15-9-13-1-2-14-9/h3-4H,1-2,12H2,(H2,13,14,15)
• InChIKey: IEJXVRYNEISIKR-UHFFFAOYSA-N
• XLogP: 1.95
• TPSA: 62.44 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 1
• Heavy Atoms: 15
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	245.11
LogP ≤ 5	1.95
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Apraclonidine?

The IUPAC name of Apraclonidine (CID 2216) is 2,6-dichloro-1-N-(4,5-dihydro-1H-imidazol-2-yl)benzene-1,4-diamine.

What is the SMILES notation for Apraclonidine?

The canonical SMILES for Apraclonidine is Nc1cc(Cl)c(NC2=NCCN2)c(Cl)c1.

What is the InChIKey of Apraclonidine?

The InChIKey is IEJXVRYNEISIKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2N4/c10-6-3-5(12)4-7(11)8(6)15-9-13-1-2-14-9/h3-4H,1-2,12H2,(H2,13,14,15).

What are the key properties of Apraclonidine?

Apraclonidine has a molecular weight of 245.11 g/mol, XLogP of 1.95, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for Apraclonidine is sourced from PubChem (CID 2216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 2216 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 229 — approved-drug record (CC BY-SA 4.0)

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