1-[2-(2-methoxyethoxy)ethyl]-3-propan-2-ylimidazol-2-one

C11H20N2O3 — CID 116625206

IUPAC1-[2-(2-methoxyethoxy)ethyl]-3-propan-2-ylimidazol-2-one
SMILESCOCCOCCn1ccn(C(C)C)c1=O
InChIInChI=1S/C11H20N2O3/c1-10(2)13-5-4-12(11(13)14)6-7-16-9-8-15-3/h4-5,10H,6-9H2,1-3H3
InChIKeyRQTCMESOAMMDMF-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.89
Rot. Bonds7

About 1-[2-(2-methoxyethoxy)ethyl]-3-propan-2-ylimidazol-2-one

1-[2-(2-methoxyethoxy)ethyl]-3-propan-2-ylimidazol-2-one (PubChem CID 116625206) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 1-[2-(2-methoxyethoxy)ethyl]-3-propan-2-ylimidazol-2-one.

Molecular Properties

Compound Name1-[2-(2-methoxyethoxy)ethyl]-3-propan-2-ylimidazol-2-one
PubChem CID116625206
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name1-[2-(2-methoxyethoxy)ethyl]-3-propan-2-ylimidazol-2-one
SMILESCOCCOCCn1ccn(C(C)C)c1=O
InChIInChI=1S/C11H20N2O3/c1-10(2)13-5-4-12(11(13)14)6-7-16-9-8-15-3/h4-5,10H,6-9H2,1-3H3
InChIKeyRQTCMESOAMMDMF-UHFFFAOYSA-N
XLogP0.89
TPSA45.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-Propan-2-yl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-2-one
CID 116625076
1-Propan-2-yl-3-[2-(trifluoromethoxy)ethyl]imidazol-2-one
CID 116625209
1-Ethyl-3-(2-methoxyethyl)imidazol-2-one
CID 60031166
1-[2-(2-methoxyethoxy)ethyl]-3-methyl-2H-imidazole
CID 86025015
1-(2-Ethoxyethyl)-3-methylimidazol-2-one
CID 115773725
1,2-Dimethoxyethane;1,3-di(propan-2-yl)imidazol-2-one
CID 174813663
1-ethenyl-3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2H-imidazole
CID 175452131
1-ethenyl-3-[2-(2-methoxyethoxy)ethyl]-2H-imidazole
CID 175452147
1-ethenyl-3-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]-2H-imidazole
CID 176095105
1-ethenyl-3-[2-(2-ethoxyethoxy)ethyl]-2H-imidazole
CID 176095106
Ethyl 2-(2-oxo-3-propan-2-ylimidazol-1-yl)acetate
CID 80580711
1-[2-(2-Chloroethoxy)ethyl]-3-propan-2-ylimidazol-2-one
CID 80580770

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyethoxy)ethyl]-3-propan-2-ylimidazol-2-one?
The IUPAC name of 1-[2-(2-methoxyethoxy)ethyl]-3-propan-2-ylimidazol-2-one (CID 116625206) is 1-[2-(2-methoxyethoxy)ethyl]-3-propan-2-ylimidazol-2-one.
What is the SMILES notation for 1-[2-(2-methoxyethoxy)ethyl]-3-propan-2-ylimidazol-2-one?
The canonical SMILES for 1-[2-(2-methoxyethoxy)ethyl]-3-propan-2-ylimidazol-2-one is COCCOCCn1ccn(C(C)C)c1=O.
What is the InChIKey of 1-[2-(2-methoxyethoxy)ethyl]-3-propan-2-ylimidazol-2-one?
The InChIKey is RQTCMESOAMMDMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-10(2)13-5-4-12(11(13)14)6-7-16-9-8-15-3/h4-5,10H,6-9H2,1-3H3.
What are the key properties of 1-[2-(2-methoxyethoxy)ethyl]-3-propan-2-ylimidazol-2-one?
1-[2-(2-methoxyethoxy)ethyl]-3-propan-2-ylimidazol-2-one has a molecular weight of 228.29 g/mol, XLogP of 0.89, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyethoxy)ethyl]-3-propan-2-ylimidazol-2-one is sourced from PubChem (CID 116625206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).