Xylometazoline

C₁₆H₂₄N₂ — CID 5709

About Xylometazoline

Xylometazoline (PubChem CID 5709) has the molecular formula C₁₆H₂₄N₂ and a molecular weight of 244.38 g/mol. Its IUPAC name is 2-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-4,5-dihydro-1H-imidazole.

Molecular Properties

• Compound Name: Xylometazoline
• PubChem CID: 5709
• Molecular Formula: C₁₆H₂₄N₂
• Molecular Weight: 244.38 g/mol
• Exact Mass: 244.19
• IUPAC Name: 2-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-4,5-dihydro-1H-imidazole
• SMILES: Cc1cc(C(C)(C)C)cc(C)c1CC1=NCCN1
• InChI: InChI=1S/C16H24N2/c1-11-8-13(16(3,4)5)9-12(2)14(11)10-15-17-6-7-18-15/h8-9H,6-7,10H2,1-5H3,(H,17,18)
• InChIKey: HUCJFAOMUPXHDK-UHFFFAOYSA-N
• XLogP: 3.15
• TPSA: 24.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	244.38
LogP ≤ 5	3.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of Xylometazoline?

The IUPAC name of Xylometazoline (CID 5709) is 2-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-4,5-dihydro-1H-imidazole.

What is the SMILES notation for Xylometazoline?

The canonical SMILES for Xylometazoline is Cc1cc(C(C)(C)C)cc(C)c1CC1=NCCN1.

What is the InChIKey of Xylometazoline?

The InChIKey is HUCJFAOMUPXHDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-11-8-13(16(3,4)5)9-12(2)14(11)10-15-17-6-7-18-15/h8-9H,6-7,10H2,1-5H3,(H,17,18).

What are the key properties of Xylometazoline?

Xylometazoline has a molecular weight of 244.38 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for Xylometazoline is sourced from PubChem (CID 5709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 5709 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 3658 — approved-drug record (CC BY-SA 4.0)

How this page is built: methodology · editorial policy & corrections.