Zimelidine

C₁₆H₁₇BrN₂ — CID 5365247

About Zimelidine

Zimelidine (PubChem CID 5365247) has the molecular formula C₁₆H₁₇BrN₂ and a molecular weight of 317.23 g/mol. Its IUPAC name is (Z)-3-(4-bromophenyl)-N,N-dimethyl-3-pyridin-3-ylprop-2-en-1-amine.

Molecular Properties

• Compound Name: Zimelidine
• PubChem CID: 5365247
• Molecular Formula: C₁₆H₁₇BrN₂
• Molecular Weight: 317.23 g/mol
• Exact Mass: 316.06
• IUPAC Name: (Z)-3-(4-bromophenyl)-N,N-dimethyl-3-pyridin-3-ylprop-2-en-1-amine
• SMILES: CN(C)C/C=C(/c1ccc(Br)cc1)c1cccnc1
• InChI: InChI=1S/C16H17BrN2/c1-19(2)11-9-16(14-4-3-10-18-12-14)13-5-7-15(17)8-6-13/h3-10,12H,11H2,1-2H3/b16-9-
• InChIKey: OYPPVKRFBIWMSX-SXGWCWSVSA-N
• XLogP: 3.84
• TPSA: 16.13 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	317.23
LogP ≤ 5	3.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of Zimelidine?

The IUPAC name of Zimelidine (CID 5365247) is (Z)-3-(4-bromophenyl)-N,N-dimethyl-3-pyridin-3-ylprop-2-en-1-amine.

What is the SMILES notation for Zimelidine?

The canonical SMILES for Zimelidine is CN(C)C/C=C(/c1ccc(Br)cc1)c1cccnc1.

What is the InChIKey of Zimelidine?

The InChIKey is OYPPVKRFBIWMSX-SXGWCWSVSA-N. The full InChI is InChI=1S/C16H17BrN2/c1-19(2)11-9-16(14-4-3-10-18-12-14)13-5-7-15(17)8-6-13/h3-10,12H,11H2,1-2H3/b16-9-.

What are the key properties of Zimelidine?

Zimelidine has a molecular weight of 317.23 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for Zimelidine is sourced from PubChem (CID 5365247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 5365247 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 2863 — approved-drug record (CC BY-SA 4.0)

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