1-(2-ethyl-3-hydroxyhexyl)imidazolidin-2-one

C11H22N2O2 — CID 22381433

IUPAC1-(2-ethyl-3-hydroxyhexyl)imidazolidin-2-one
SMILESCCCC(O)C(CC)CN1CCNC1=O
InChIInChI=1S/C11H22N2O2/c1-3-5-10(14)9(4-2)8-13-7-6-12-11(13)15/h9-10,14H,3-8H2,1-2H3,(H,12,15)
InChIKeyWBBSEMCHLCSSNE-UHFFFAOYSA-N
MW214.31 g/mol
LogP1.20
Rot. Bonds6

About 1-(2-ethyl-3-hydroxyhexyl)imidazolidin-2-one

1-(2-ethyl-3-hydroxyhexyl)imidazolidin-2-one (PubChem CID 22381433) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 1-(2-ethyl-3-hydroxyhexyl)imidazolidin-2-one.

Molecular Properties

Compound Name1-(2-ethyl-3-hydroxyhexyl)imidazolidin-2-one
PubChem CID22381433
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name1-(2-ethyl-3-hydroxyhexyl)imidazolidin-2-one
SMILESCCCC(O)C(CC)CN1CCNC1=O
InChIInChI=1S/C11H22N2O2/c1-3-5-10(14)9(4-2)8-13-7-6-12-11(13)15/h9-10,14H,3-8H2,1-2H3,(H,12,15)
InChIKeyWBBSEMCHLCSSNE-UHFFFAOYSA-N
XLogP1.20
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-3-hydroxyhexyl)imidazolidin-2-one?
The IUPAC name of 1-(2-ethyl-3-hydroxyhexyl)imidazolidin-2-one (CID 22381433) is 1-(2-ethyl-3-hydroxyhexyl)imidazolidin-2-one.
What is the SMILES notation for 1-(2-ethyl-3-hydroxyhexyl)imidazolidin-2-one?
The canonical SMILES for 1-(2-ethyl-3-hydroxyhexyl)imidazolidin-2-one is CCCC(O)C(CC)CN1CCNC1=O.
What is the InChIKey of 1-(2-ethyl-3-hydroxyhexyl)imidazolidin-2-one?
The InChIKey is WBBSEMCHLCSSNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-3-5-10(14)9(4-2)8-13-7-6-12-11(13)15/h9-10,14H,3-8H2,1-2H3,(H,12,15).
What are the key properties of 1-(2-ethyl-3-hydroxyhexyl)imidazolidin-2-one?
1-(2-ethyl-3-hydroxyhexyl)imidazolidin-2-one has a molecular weight of 214.31 g/mol, XLogP of 1.20, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-3-hydroxyhexyl)imidazolidin-2-one is sourced from PubChem (CID 22381433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).