1-chloro-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-2,2,5,5-tetramethylimidazolidin-4-one

C13H25ClN2O4 — CID 87691473

IUPAC1-chloro-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-2,2,5,5-tetramethylimidazolidin-4-one
SMILESCC1(C)C(=O)N(CCOCCOCCO)C(C)(C)N1Cl
InChIInChI=1S/C13H25ClN2O4/c1-12(2)11(18)15(13(3,4)16(12)14)5-7-19-9-10-20-8-6-17/h17H,5-10H2,1-4H3
InChIKeyMORYJGHATNAZHU-UHFFFAOYSA-N
MW308.81 g/mol
LogP0.82
Rot. Bonds8

About 1-chloro-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-2,2,5,5-tetramethylimidazolidin-4-one

1-chloro-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-2,2,5,5-tetramethylimidazolidin-4-one (PubChem CID 87691473) has the molecular formula C13H25ClN2O4 and a molecular weight of 308.81 g/mol. Its IUPAC name is 1-chloro-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-2,2,5,5-tetramethylimidazolidin-4-one.

Molecular Properties

Compound Name1-chloro-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-2,2,5,5-tetramethylimidazolidin-4-one
PubChem CID87691473
Molecular FormulaC13H25ClN2O4
Molecular Weight308.81 g/mol
Exact Mass308.15
IUPAC Name1-chloro-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-2,2,5,5-tetramethylimidazolidin-4-one
SMILESCC1(C)C(=O)N(CCOCCOCCO)C(C)(C)N1Cl
InChIInChI=1S/C13H25ClN2O4/c1-12(2)11(18)15(13(3,4)16(12)14)5-7-19-9-10-20-8-6-17/h17H,5-10H2,1-4H3
InChIKeyMORYJGHATNAZHU-UHFFFAOYSA-N
XLogP0.82
TPSA62.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-2,2,5,5-tetramethylimidazolidin-4-one?
The IUPAC name of 1-chloro-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-2,2,5,5-tetramethylimidazolidin-4-one (CID 87691473) is 1-chloro-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-2,2,5,5-tetramethylimidazolidin-4-one.
What is the SMILES notation for 1-chloro-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-2,2,5,5-tetramethylimidazolidin-4-one?
The canonical SMILES for 1-chloro-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-2,2,5,5-tetramethylimidazolidin-4-one is CC1(C)C(=O)N(CCOCCOCCO)C(C)(C)N1Cl.
What is the InChIKey of 1-chloro-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-2,2,5,5-tetramethylimidazolidin-4-one?
The InChIKey is MORYJGHATNAZHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25ClN2O4/c1-12(2)11(18)15(13(3,4)16(12)14)5-7-19-9-10-20-8-6-17/h17H,5-10H2,1-4H3.
What are the key properties of 1-chloro-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-2,2,5,5-tetramethylimidazolidin-4-one?
1-chloro-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-2,2,5,5-tetramethylimidazolidin-4-one has a molecular weight of 308.81 g/mol, XLogP of 0.82, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-2,2,5,5-tetramethylimidazolidin-4-one is sourced from PubChem (CID 87691473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).