1-(ethoxymethyl)imidazole

C6H10N2O — CID 13019449

IUPAC1-(ethoxymethyl)imidazole
SMILESCCOCn1ccnc1
InChIInChI=1S/C6H10N2O/c1-2-9-6-8-4-3-7-5-8/h3-5H,2,6H2,1H3
InChIKeyVAJJXKGFPILYBO-UHFFFAOYSA-N
MW126.16 g/mol
LogP0.88
Rot. Bonds3

About 1-(ethoxymethyl)imidazole

1-(ethoxymethyl)imidazole (PubChem CID 13019449) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is 1-(ethoxymethyl)imidazole.

Molecular Properties

Compound Name1-(ethoxymethyl)imidazole
PubChem CID13019449
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Name1-(ethoxymethyl)imidazole
SMILESCCOCn1ccnc1
InChIInChI=1S/C6H10N2O/c1-2-9-6-8-4-3-7-5-8/h3-5H,2,6H2,1H3
InChIKeyVAJJXKGFPILYBO-UHFFFAOYSA-N
XLogP0.88
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Methylimidazole
CID 1390
Butylimidazole
CID 61347
1,2-Dimethylimidazole
CID 15617
1-Vinylimidazole
CID 66171
1-Ethyl-3-methylimidazolium ethylsulfate
CID 12095229
1-Ethyl-3-methylimidazolium chloride
CID 2734160
1H-Imidazolium, 3-ethyl-1-methyl-, salt with N-cyanocyanamide (1:1)
CID 11159638
n-Propylimidazole
CID 118785
1-Ethyl-3-methylimidazolium iodide
CID 11075478
1-Methyl-3-propylimidazolium Iodide
CID 12971008
1,3-Dimethylimidazolium Iodide
CID 20334
Ethyl 1H-imidazole-1-carboxylate
CID 87963

Frequently Asked Questions

What is the IUPAC name of 1-(ethoxymethyl)imidazole?
The IUPAC name of 1-(ethoxymethyl)imidazole (CID 13019449) is 1-(ethoxymethyl)imidazole.
What is the SMILES notation for 1-(ethoxymethyl)imidazole?
The canonical SMILES for 1-(ethoxymethyl)imidazole is CCOCn1ccnc1.
What is the InChIKey of 1-(ethoxymethyl)imidazole?
The InChIKey is VAJJXKGFPILYBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O/c1-2-9-6-8-4-3-7-5-8/h3-5H,2,6H2,1H3.
What are the key properties of 1-(ethoxymethyl)imidazole?
1-(ethoxymethyl)imidazole has a molecular weight of 126.16 g/mol, XLogP of 0.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethoxymethyl)imidazole is sourced from PubChem (CID 13019449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).