1-(4-tert-butylcyclohexyl)-3-ethylimidazolidin-2-one

C15H28N2O — CID 70849900

IUPAC1-(4-tert-butylcyclohexyl)-3-ethylimidazolidin-2-one
SMILESCCN1CCN(C2CCC(C(C)(C)C)CC2)C1=O
InChIInChI=1S/C15H28N2O/c1-5-16-10-11-17(14(16)18)13-8-6-12(7-9-13)15(2,3)4/h12-13H,5-11H2,1-4H3
InChIKeyIQLFPPNNLXHHEQ-UHFFFAOYSA-N
MW252.40 g/mol
LogP3.35
Rot. Bonds2

About 1-(4-tert-butylcyclohexyl)-3-ethylimidazolidin-2-one

1-(4-tert-butylcyclohexyl)-3-ethylimidazolidin-2-one (PubChem CID 70849900) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 1-(4-tert-butylcyclohexyl)-3-ethylimidazolidin-2-one.

Molecular Properties

Compound Name1-(4-tert-butylcyclohexyl)-3-ethylimidazolidin-2-one
PubChem CID70849900
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name1-(4-tert-butylcyclohexyl)-3-ethylimidazolidin-2-one
SMILESCCN1CCN(C2CCC(C(C)(C)C)CC2)C1=O
InChIInChI=1S/C15H28N2O/c1-5-16-10-11-17(14(16)18)13-8-6-12(7-9-13)15(2,3)4/h12-13H,5-11H2,1-4H3
InChIKeyIQLFPPNNLXHHEQ-UHFFFAOYSA-N
XLogP3.35
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylcyclohexyl)-3-ethylimidazolidin-2-one?
The IUPAC name of 1-(4-tert-butylcyclohexyl)-3-ethylimidazolidin-2-one (CID 70849900) is 1-(4-tert-butylcyclohexyl)-3-ethylimidazolidin-2-one.
What is the SMILES notation for 1-(4-tert-butylcyclohexyl)-3-ethylimidazolidin-2-one?
The canonical SMILES for 1-(4-tert-butylcyclohexyl)-3-ethylimidazolidin-2-one is CCN1CCN(C2CCC(C(C)(C)C)CC2)C1=O.
What is the InChIKey of 1-(4-tert-butylcyclohexyl)-3-ethylimidazolidin-2-one?
The InChIKey is IQLFPPNNLXHHEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-5-16-10-11-17(14(16)18)13-8-6-12(7-9-13)15(2,3)4/h12-13H,5-11H2,1-4H3.
What are the key properties of 1-(4-tert-butylcyclohexyl)-3-ethylimidazolidin-2-one?
1-(4-tert-butylcyclohexyl)-3-ethylimidazolidin-2-one has a molecular weight of 252.40 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylcyclohexyl)-3-ethylimidazolidin-2-one is sourced from PubChem (CID 70849900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).