2-cyclopentyl-3-(5-methylhexyl)-5-propan-2-ylimidazolidin-4-one

C18H34N2O — CID 83269160

IUPAC2-cyclopentyl-3-(5-methylhexyl)-5-propan-2-ylimidazolidin-4-one
SMILESCC(C)CCCCN1C(=O)C(C(C)C)NC1C1CCCC1
InChIInChI=1S/C18H34N2O/c1-13(2)9-7-8-12-20-17(15-10-5-6-11-15)19-16(14(3)4)18(20)21/h13-17,19H,5-12H2,1-4H3
InChIKeyPYOPMGDERIYGRA-UHFFFAOYSA-N
MW294.48 g/mol
LogP3.79
Rot. Bonds7

About 2-cyclopentyl-3-(5-methylhexyl)-5-propan-2-ylimidazolidin-4-one

2-cyclopentyl-3-(5-methylhexyl)-5-propan-2-ylimidazolidin-4-one (PubChem CID 83269160) has the molecular formula C18H34N2O and a molecular weight of 294.48 g/mol. Its IUPAC name is 2-cyclopentyl-3-(5-methylhexyl)-5-propan-2-ylimidazolidin-4-one.

Molecular Properties

Compound Name2-cyclopentyl-3-(5-methylhexyl)-5-propan-2-ylimidazolidin-4-one
PubChem CID83269160
Molecular FormulaC18H34N2O
Molecular Weight294.48 g/mol
Exact Mass294.27
IUPAC Name2-cyclopentyl-3-(5-methylhexyl)-5-propan-2-ylimidazolidin-4-one
SMILESCC(C)CCCCN1C(=O)C(C(C)C)NC1C1CCCC1
InChIInChI=1S/C18H34N2O/c1-13(2)9-7-8-12-20-17(15-10-5-6-11-15)19-16(14(3)4)18(20)21/h13-17,19H,5-12H2,1-4H3
InChIKeyPYOPMGDERIYGRA-UHFFFAOYSA-N
XLogP3.79
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.48
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-3-(5-methylhexyl)-5-propan-2-ylimidazolidin-4-one?
The IUPAC name of 2-cyclopentyl-3-(5-methylhexyl)-5-propan-2-ylimidazolidin-4-one (CID 83269160) is 2-cyclopentyl-3-(5-methylhexyl)-5-propan-2-ylimidazolidin-4-one.
What is the SMILES notation for 2-cyclopentyl-3-(5-methylhexyl)-5-propan-2-ylimidazolidin-4-one?
The canonical SMILES for 2-cyclopentyl-3-(5-methylhexyl)-5-propan-2-ylimidazolidin-4-one is CC(C)CCCCN1C(=O)C(C(C)C)NC1C1CCCC1.
What is the InChIKey of 2-cyclopentyl-3-(5-methylhexyl)-5-propan-2-ylimidazolidin-4-one?
The InChIKey is PYOPMGDERIYGRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O/c1-13(2)9-7-8-12-20-17(15-10-5-6-11-15)19-16(14(3)4)18(20)21/h13-17,19H,5-12H2,1-4H3.
What are the key properties of 2-cyclopentyl-3-(5-methylhexyl)-5-propan-2-ylimidazolidin-4-one?
2-cyclopentyl-3-(5-methylhexyl)-5-propan-2-ylimidazolidin-4-one has a molecular weight of 294.48 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-3-(5-methylhexyl)-5-propan-2-ylimidazolidin-4-one is sourced from PubChem (CID 83269160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).