2,5-dimethyl-3-(1-pyrrolidin-1-ylpropan-2-yl)imidazolidin-4-one

C₁₂H₂₃N₃O — CID 83249326

About 2,5-dimethyl-3-(1-pyrrolidin-1-ylpropan-2-yl)imidazolidin-4-one

2,5-dimethyl-3-(1-pyrrolidin-1-ylpropan-2-yl)imidazolidin-4-one (PubChem CID 83249326) has the molecular formula C₁₂H₂₃N₃O and a molecular weight of 225.34 g/mol. Its IUPAC name is 2,5-dimethyl-3-(1-pyrrolidin-1-ylpropan-2-yl)imidazolidin-4-one.

Molecular Properties

• Compound Name: 2,5-dimethyl-3-(1-pyrrolidin-1-ylpropan-2-yl)imidazolidin-4-one
• PubChem CID: 83249326
• Molecular Formula: C₁₂H₂₃N₃O
• Molecular Weight: 225.34 g/mol
• Exact Mass: 225.18
• IUPAC Name: 2,5-dimethyl-3-(1-pyrrolidin-1-ylpropan-2-yl)imidazolidin-4-one
• SMILES: CC1NC(C)N(C(C)CN2CCCC2)C1=O
• InChI: InChI=1S/C12H23N3O/c1-9(8-14-6-4-5-7-14)15-11(3)13-10(2)12(15)16/h9-11,13H,4-8H2,1-3H3
• InChIKey: GYUVOHXNPMFGNP-UHFFFAOYSA-N
• XLogP: 0.64
• TPSA: 35.58 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 16
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	225.34
LogP ≤ 5	0.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-3-(1-pyrrolidin-1-ylpropan-2-yl)imidazolidin-4-one?

The IUPAC name of 2,5-dimethyl-3-(1-pyrrolidin-1-ylpropan-2-yl)imidazolidin-4-one (CID 83249326) is 2,5-dimethyl-3-(1-pyrrolidin-1-ylpropan-2-yl)imidazolidin-4-one.

What is the SMILES notation for 2,5-dimethyl-3-(1-pyrrolidin-1-ylpropan-2-yl)imidazolidin-4-one?

The canonical SMILES for 2,5-dimethyl-3-(1-pyrrolidin-1-ylpropan-2-yl)imidazolidin-4-one is CC1NC(C)N(C(C)CN2CCCC2)C1=O.

What is the InChIKey of 2,5-dimethyl-3-(1-pyrrolidin-1-ylpropan-2-yl)imidazolidin-4-one?

The InChIKey is GYUVOHXNPMFGNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-9(8-14-6-4-5-7-14)15-11(3)13-10(2)12(15)16/h9-11,13H,4-8H2,1-3H3.

What are the key properties of 2,5-dimethyl-3-(1-pyrrolidin-1-ylpropan-2-yl)imidazolidin-4-one?

2,5-dimethyl-3-(1-pyrrolidin-1-ylpropan-2-yl)imidazolidin-4-one has a molecular weight of 225.34 g/mol, XLogP of 0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2,5-dimethyl-3-(1-pyrrolidin-1-ylpropan-2-yl)imidazolidin-4-one is sourced from PubChem (CID 83249326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 83249326 — identifiers, structure, computed properties (public domain)

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