1-ethyl-3-[2-(2-hydroxyethoxy)ethyl]imidazol-2-one

C9H16N2O3 — CID 80581279

IUPAC1-ethyl-3-[2-(2-hydroxyethoxy)ethyl]imidazol-2-one
SMILESCCn1ccn(CCOCCO)c1=O
InChIInChI=1S/C9H16N2O3/c1-2-10-3-4-11(9(10)13)5-7-14-8-6-12/h3-4,12H,2,5-8H2,1H3
InChIKeyFGWBOEWOLIDZIG-UHFFFAOYSA-N
MW200.24 g/mol
LogP-0.32
Rot. Bonds6

About 1-ethyl-3-[2-(2-hydroxyethoxy)ethyl]imidazol-2-one

1-ethyl-3-[2-(2-hydroxyethoxy)ethyl]imidazol-2-one (PubChem CID 80581279) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is 1-ethyl-3-[2-(2-hydroxyethoxy)ethyl]imidazol-2-one.

Molecular Properties

Compound Name1-ethyl-3-[2-(2-hydroxyethoxy)ethyl]imidazol-2-one
PubChem CID80581279
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name1-ethyl-3-[2-(2-hydroxyethoxy)ethyl]imidazol-2-one
SMILESCCn1ccn(CCOCCO)c1=O
InChIInChI=1S/C9H16N2O3/c1-2-10-3-4-11(9(10)13)5-7-14-8-6-12/h3-4,12H,2,5-8H2,1H3
InChIKeyFGWBOEWOLIDZIG-UHFFFAOYSA-N
XLogP-0.32
TPSA56.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(2-Ethenoxyethyl)-4-hydroxy-1-methylimidazol-2-one
CID 54549563
2-[2-(3-methyl-2H-imidazol-1-yl)ethoxy]ethanol
CID 57350016
2-[2-[3-[2-(2-hydroxyethoxy)ethyl]-2H-imidazol-1-yl]ethoxy]ethanol
CID 69232482
1-(2-Ethoxyethyl)-3-methylimidazol-2-one
CID 115773725
2-[2-[2-(3-methyl-2H-imidazol-1-yl)ethoxy]ethoxy]ethanol
CID 57350018
2-[2-[2-(3-butyl-2H-imidazol-1-yl)ethoxy]ethoxy]ethanol
CID 57350021
1-[2-(2-Hydroxyethoxy)ethyl]-3-methylimidazol-2-one
CID 80581391
1-[2-(2-Hydroxyethoxy)ethyl]-3-propylimidazol-2-one
CID 80581499
1-[2-(2-Hydroxyethoxy)ethyl]-3-propan-2-ylimidazol-2-one
CID 80582047
1-Cyclopropyl-3-[2-(2-hydroxyethoxy)ethyl]imidazol-2-one
CID 80582173
3-[2-(2-hydroxyethoxy)ethyl]-1H-imidazol-2-one
CID 103124665
1-Ethyl-3-(2-hydroxy-3-methoxypropyl)imidazol-2-one
CID 103759684

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[2-(2-hydroxyethoxy)ethyl]imidazol-2-one?
The IUPAC name of 1-ethyl-3-[2-(2-hydroxyethoxy)ethyl]imidazol-2-one (CID 80581279) is 1-ethyl-3-[2-(2-hydroxyethoxy)ethyl]imidazol-2-one.
What is the SMILES notation for 1-ethyl-3-[2-(2-hydroxyethoxy)ethyl]imidazol-2-one?
The canonical SMILES for 1-ethyl-3-[2-(2-hydroxyethoxy)ethyl]imidazol-2-one is CCn1ccn(CCOCCO)c1=O.
What is the InChIKey of 1-ethyl-3-[2-(2-hydroxyethoxy)ethyl]imidazol-2-one?
The InChIKey is FGWBOEWOLIDZIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-2-10-3-4-11(9(10)13)5-7-14-8-6-12/h3-4,12H,2,5-8H2,1H3.
What are the key properties of 1-ethyl-3-[2-(2-hydroxyethoxy)ethyl]imidazol-2-one?
1-ethyl-3-[2-(2-hydroxyethoxy)ethyl]imidazol-2-one has a molecular weight of 200.24 g/mol, XLogP of -0.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[2-(2-hydroxyethoxy)ethyl]imidazol-2-one is sourced from PubChem (CID 80581279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).