Dexmedetomidine

C₁₃H₁₆N₂ — CID 5311068

About Dexmedetomidine

Dexmedetomidine (PubChem CID 5311068) has the molecular formula C₁₃H₁₆N₂ and a molecular weight of 200.28 g/mol. Its IUPAC name is 5-[(1S)-1-(2,3-dimethylphenyl)ethyl]-1H-imidazole.

Molecular Properties

• Compound Name: Dexmedetomidine
• PubChem CID: 5311068
• Molecular Formula: C₁₃H₁₆N₂
• Molecular Weight: 200.28 g/mol
• Exact Mass: 200.13
• IUPAC Name: 5-[(1S)-1-(2,3-dimethylphenyl)ethyl]-1H-imidazole
• SMILES: Cc1cccc([C@H](C)c2cnc[nH]2)c1C
• InChI: InChI=1S/C13H16N2/c1-9-5-4-6-12(10(9)2)11(3)13-7-14-8-15-13/h4-8,11H,1-3H3,(H,14,15)/t11-/m0/s1
• InChIKey: CUHVIMMYOGQXCV-NSHDSACASA-N
• XLogP: 3.18
• TPSA: 28.68 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Rotatable Bonds: 2
• Heavy Atoms: 15
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	200.28
LogP ≤ 5	3.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of Dexmedetomidine?

The IUPAC name of Dexmedetomidine (CID 5311068) is 5-[(1S)-1-(2,3-dimethylphenyl)ethyl]-1H-imidazole.

What is the SMILES notation for Dexmedetomidine?

The canonical SMILES for Dexmedetomidine is Cc1cccc([C@H](C)c2cnc[nH]2)c1C.

What is the InChIKey of Dexmedetomidine?

The InChIKey is CUHVIMMYOGQXCV-NSHDSACASA-N. The full InChI is InChI=1S/C13H16N2/c1-9-5-4-6-12(10(9)2)11(3)13-7-14-8-15-13/h4-8,11H,1-3H3,(H,14,15)/t11-/m0/s1.

What are the key properties of Dexmedetomidine?

Dexmedetomidine has a molecular weight of 200.28 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for Dexmedetomidine is sourced from PubChem (CID 5311068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 5311068 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 835 — approved-drug record (CC BY-SA 4.0)

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