1,3-bis(2-propoxyethyl)imidazolidin-2-one

C13H26N2O3 — CID 139925751

IUPAC1,3-bis(2-propoxyethyl)imidazolidin-2-one
SMILESCCCOCCN1CCN(CCOCCC)C1=O
InChIInChI=1S/C13H26N2O3/c1-3-9-17-11-7-14-5-6-15(13(14)16)8-12-18-10-4-2/h3-12H2,1-2H3
InChIKeyAOTWQWTVOKESKY-UHFFFAOYSA-N
MW258.36 g/mol
LogP1.58
Rot. Bonds10

About 1,3-bis(2-propoxyethyl)imidazolidin-2-one

1,3-bis(2-propoxyethyl)imidazolidin-2-one (PubChem CID 139925751) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is 1,3-bis(2-propoxyethyl)imidazolidin-2-one.

Molecular Properties

Compound Name1,3-bis(2-propoxyethyl)imidazolidin-2-one
PubChem CID139925751
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name1,3-bis(2-propoxyethyl)imidazolidin-2-one
SMILESCCCOCCN1CCN(CCOCCC)C1=O
InChIInChI=1S/C13H26N2O3/c1-3-9-17-11-7-14-5-6-15(13(14)16)8-12-18-10-4-2/h3-12H2,1-2H3
InChIKeyAOTWQWTVOKESKY-UHFFFAOYSA-N
XLogP1.58
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 1,3-bis(2-propoxyethyl)imidazolidin-2-one?
The IUPAC name of 1,3-bis(2-propoxyethyl)imidazolidin-2-one (CID 139925751) is 1,3-bis(2-propoxyethyl)imidazolidin-2-one.
What is the SMILES notation for 1,3-bis(2-propoxyethyl)imidazolidin-2-one?
The canonical SMILES for 1,3-bis(2-propoxyethyl)imidazolidin-2-one is CCCOCCN1CCN(CCOCCC)C1=O.
What is the InChIKey of 1,3-bis(2-propoxyethyl)imidazolidin-2-one?
The InChIKey is AOTWQWTVOKESKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-3-9-17-11-7-14-5-6-15(13(14)16)8-12-18-10-4-2/h3-12H2,1-2H3.
What are the key properties of 1,3-bis(2-propoxyethyl)imidazolidin-2-one?
1,3-bis(2-propoxyethyl)imidazolidin-2-one has a molecular weight of 258.36 g/mol, XLogP of 1.58, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(2-propoxyethyl)imidazolidin-2-one is sourced from PubChem (CID 139925751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).