Dibrompropamidine

C₁₇H₁₈Br₂N₄O₂ — CID 11974

About Dibrompropamidine

Dibrompropamidine (PubChem CID 11974) has the molecular formula C₁₇H₁₈Br₂N₄O₂ and a molecular weight of 470.17 g/mol. Its IUPAC name is 3-bromo-4-[3-(2-bromo-4-carbamimidoylphenoxy)propoxy]benzenecarboximidamide.

Molecular Properties

• Compound Name: Dibrompropamidine
• PubChem CID: 11974
• Molecular Formula: C₁₇H₁₈Br₂N₄O₂
• Molecular Weight: 470.17 g/mol
• Exact Mass: 467.98
• IUPAC Name: 3-bromo-4-[3-(2-bromo-4-carbamimidoylphenoxy)propoxy]benzenecarboximidamide
• SMILES: [H]/N=C(\N)c1ccc(OCCCOc2ccc(/C(N)=N/[H])cc2Br)c(Br)c1
• InChI: InChI=1S/C17H18Br2N4O2/c18-12-8-10(16(20)21)2-4-14(12)24-6-1-7-25-15-5-3-11(17(22)23)9-13(15)19/h2-5,8-9H,1,6-7H2,(H3,20,21)(H3,22,23)
• InChIKey: GMJFVGRUYJHMCO-UHFFFAOYSA-N
• XLogP: 3.63
• TPSA: 118.20 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	470.17
LogP ≤ 5	3.63
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Dibrompropamidine?

The IUPAC name of Dibrompropamidine (CID 11974) is 3-bromo-4-[3-(2-bromo-4-carbamimidoylphenoxy)propoxy]benzenecarboximidamide.

What is the SMILES notation for Dibrompropamidine?

The canonical SMILES for Dibrompropamidine is [H]/N=C(\N)c1ccc(OCCCOc2ccc(/C(N)=N/[H])cc2Br)c(Br)c1.

What is the InChIKey of Dibrompropamidine?

The InChIKey is GMJFVGRUYJHMCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Br2N4O2/c18-12-8-10(16(20)21)2-4-14(12)24-6-1-7-25-15-5-3-11(17(22)23)9-13(15)19/h2-5,8-9H,1,6-7H2,(H3,20,21)(H3,22,23).

What are the key properties of Dibrompropamidine?

Dibrompropamidine has a molecular weight of 470.17 g/mol, XLogP of 3.63, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for Dibrompropamidine is sourced from PubChem (CID 11974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 11974 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 3137 — approved-drug record (CC BY-SA 4.0)

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