[1-(2-ethoxyethyl)-3-methyl-2H-imidazol-2-yl] 2-methoxyacetate

C11H20N2O4 — CID 118645484

IUPAC[1-(2-ethoxyethyl)-3-methyl-2H-imidazol-2-yl] 2-methoxyacetate
SMILESCCOCCN1C=CN(C)C1OC(=O)COC
InChIInChI=1S/C11H20N2O4/c1-4-16-8-7-13-6-5-12(2)11(13)17-10(14)9-15-3/h5-6,11H,4,7-9H2,1-3H3
InChIKeyFJUDMQMXWXANLU-UHFFFAOYSA-N
MW244.29 g/mol
LogP0.21
Rot. Bonds7

About [1-(2-ethoxyethyl)-3-methyl-2H-imidazol-2-yl] 2-methoxyacetate

[1-(2-ethoxyethyl)-3-methyl-2H-imidazol-2-yl] 2-methoxyacetate (PubChem CID 118645484) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is [1-(2-ethoxyethyl)-3-methyl-2H-imidazol-2-yl] 2-methoxyacetate.

Molecular Properties

Compound Name[1-(2-ethoxyethyl)-3-methyl-2H-imidazol-2-yl] 2-methoxyacetate
PubChem CID118645484
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name[1-(2-ethoxyethyl)-3-methyl-2H-imidazol-2-yl] 2-methoxyacetate
SMILESCCOCCN1C=CN(C)C1OC(=O)COC
InChIInChI=1S/C11H20N2O4/c1-4-16-8-7-13-6-5-12(2)11(13)17-10(14)9-15-3/h5-6,11H,4,7-9H2,1-3H3
InChIKeyFJUDMQMXWXANLU-UHFFFAOYSA-N
XLogP0.21
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[1-(2-ethoxyethyl)-3-ethyl-2H-imidazol-2-yl] 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoate
CID 118645477
(1-ethyl-3-methyl-2H-imidazol-2-yl) butanoate
CID 66707576
(1-ethyl-3-methyl-2H-imidazol-2-yl) acetate
CID 66647991
[1-ethyl-3-(2-methoxyethyl)-2H-imidazol-2-yl] 3-methylsulfanylpropanoate
CID 118645190
bis(1-ethyl-3-methyl-2H-imidazol-2-yl) 2,3-dihydroxybutanedioate
CID 68743808
(1-ethyl-3-methyl-2H-imidazol-2-yl) 2-hydroxypropanoate
CID 66994781
(1-butyl-3-methyl-2H-imidazol-2-yl) 2-ethoxyethanesulfonate
CID 87178062
1-[2-[2-(2,3-dimethyl-2H-imidazol-1-yl)ethoxy]ethyl]-2,3-dimethyl-2H-imidazole
CID 71268064
2-ethoxyethyl 2-[2-(2-methoxyethoxy)ethoxy]acetate
CID 175750178
2-ethoxyethyl propanoate;2-methoxyethyl propanoate
CID 87828921
diethyl (1-methyl-3-pentyl-2H-imidazol-2-yl) phosphate
CID 71269102
methyl 1-(2-ethoxyethyl)piperidine-4-carboxylate
CID 60691218

Frequently Asked Questions

What is the IUPAC name of [1-(2-ethoxyethyl)-3-methyl-2H-imidazol-2-yl] 2-methoxyacetate?
The IUPAC name of [1-(2-ethoxyethyl)-3-methyl-2H-imidazol-2-yl] 2-methoxyacetate (CID 118645484) is [1-(2-ethoxyethyl)-3-methyl-2H-imidazol-2-yl] 2-methoxyacetate.
What is the SMILES notation for [1-(2-ethoxyethyl)-3-methyl-2H-imidazol-2-yl] 2-methoxyacetate?
The canonical SMILES for [1-(2-ethoxyethyl)-3-methyl-2H-imidazol-2-yl] 2-methoxyacetate is CCOCCN1C=CN(C)C1OC(=O)COC.
What is the InChIKey of [1-(2-ethoxyethyl)-3-methyl-2H-imidazol-2-yl] 2-methoxyacetate?
The InChIKey is FJUDMQMXWXANLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-4-16-8-7-13-6-5-12(2)11(13)17-10(14)9-15-3/h5-6,11H,4,7-9H2,1-3H3.
What are the key properties of [1-(2-ethoxyethyl)-3-methyl-2H-imidazol-2-yl] 2-methoxyacetate?
[1-(2-ethoxyethyl)-3-methyl-2H-imidazol-2-yl] 2-methoxyacetate has a molecular weight of 244.29 g/mol, XLogP of 0.21, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-ethoxyethyl)-3-methyl-2H-imidazol-2-yl] 2-methoxyacetate is sourced from PubChem (CID 118645484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).