2-cyclopentyl-3-(4-propan-2-yloxybutyl)imidazolidin-4-one

C₁₅H₂₈N₂O₂ — CID 106011110

About 2-cyclopentyl-3-(4-propan-2-yloxybutyl)imidazolidin-4-one

2-cyclopentyl-3-(4-propan-2-yloxybutyl)imidazolidin-4-one (PubChem CID 106011110) has the molecular formula C₁₅H₂₈N₂O₂ and a molecular weight of 268.40 g/mol. Its IUPAC name is 2-cyclopentyl-3-(4-propan-2-yloxybutyl)imidazolidin-4-one.

Molecular Properties

• Compound Name: 2-cyclopentyl-3-(4-propan-2-yloxybutyl)imidazolidin-4-one
• PubChem CID: 106011110
• Molecular Formula: C₁₅H₂₈N₂O₂
• Molecular Weight: 268.40 g/mol
• Exact Mass: 268.22
• IUPAC Name: 2-cyclopentyl-3-(4-propan-2-yloxybutyl)imidazolidin-4-one
• SMILES: CC(C)OCCCCN1C(=O)CNC1C1CCCC1
• InChI: InChI=1S/C15H28N2O2/c1-12(2)19-10-6-5-9-17-14(18)11-16-15(17)13-7-3-4-8-13/h12-13,15-16H,3-11H2,1-2H3
• InChIKey: JMVDVABBXJRZPR-UHFFFAOYSA-N
• XLogP: 2.14
• TPSA: 41.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	268.40
LogP ≤ 5	2.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-3-(4-propan-2-yloxybutyl)imidazolidin-4-one?

The IUPAC name of 2-cyclopentyl-3-(4-propan-2-yloxybutyl)imidazolidin-4-one (CID 106011110) is 2-cyclopentyl-3-(4-propan-2-yloxybutyl)imidazolidin-4-one.

What is the SMILES notation for 2-cyclopentyl-3-(4-propan-2-yloxybutyl)imidazolidin-4-one?

The canonical SMILES for 2-cyclopentyl-3-(4-propan-2-yloxybutyl)imidazolidin-4-one is CC(C)OCCCCN1C(=O)CNC1C1CCCC1.

What is the InChIKey of 2-cyclopentyl-3-(4-propan-2-yloxybutyl)imidazolidin-4-one?

The InChIKey is JMVDVABBXJRZPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-12(2)19-10-6-5-9-17-14(18)11-16-15(17)13-7-3-4-8-13/h12-13,15-16H,3-11H2,1-2H3.

What are the key properties of 2-cyclopentyl-3-(4-propan-2-yloxybutyl)imidazolidin-4-one?

2-cyclopentyl-3-(4-propan-2-yloxybutyl)imidazolidin-4-one has a molecular weight of 268.40 g/mol, XLogP of 2.14, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclopentyl-3-(4-propan-2-yloxybutyl)imidazolidin-4-one is sourced from PubChem (CID 106011110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 106011110 — identifiers, structure, computed properties (public domain)

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