1-(1-ethoxyethyl)imidazole

C7H12N2O — CID 12922721

IUPAC1-(1-ethoxyethyl)imidazole
SMILESCCOC(C)n1ccnc1
InChIInChI=1S/C7H12N2O/c1-3-10-7(2)9-5-4-8-6-9/h4-7H,3H2,1-2H3
InChIKeyKIOJMSCRODLEKL-UHFFFAOYSA-N
MW140.19 g/mol
LogP1.44
Rot. Bonds3

About 1-(1-ethoxyethyl)imidazole

1-(1-ethoxyethyl)imidazole (PubChem CID 12922721) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 1-(1-ethoxyethyl)imidazole.

Molecular Properties

Compound Name1-(1-ethoxyethyl)imidazole
PubChem CID12922721
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name1-(1-ethoxyethyl)imidazole
SMILESCCOC(C)n1ccnc1
InChIInChI=1S/C7H12N2O/c1-3-10-7(2)9-5-4-8-6-9/h4-7H,3H2,1-2H3
InChIKeyKIOJMSCRODLEKL-UHFFFAOYSA-N
XLogP1.44
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 51.44
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-(1-ethoxyethyl)imidazole?
The IUPAC name of 1-(1-ethoxyethyl)imidazole (CID 12922721) is 1-(1-ethoxyethyl)imidazole.
What is the SMILES notation for 1-(1-ethoxyethyl)imidazole?
The canonical SMILES for 1-(1-ethoxyethyl)imidazole is CCOC(C)n1ccnc1.
What is the InChIKey of 1-(1-ethoxyethyl)imidazole?
The InChIKey is KIOJMSCRODLEKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-3-10-7(2)9-5-4-8-6-9/h4-7H,3H2,1-2H3.
What are the key properties of 1-(1-ethoxyethyl)imidazole?
1-(1-ethoxyethyl)imidazole has a molecular weight of 140.19 g/mol, XLogP of 1.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethoxyethyl)imidazole is sourced from PubChem (CID 12922721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).