2-(ethoxymethyl)-1H-imidazole

C6H10N2O — CID 15043882

IUPAC2-(ethoxymethyl)-1H-imidazole
SMILESCCOCc1ncc[nH]1
InChIInChI=1S/C6H10N2O/c1-2-9-5-6-7-3-4-8-6/h3-4H,2,5H2,1H3,(H,7,8)
InChIKeyXFLFAULFAINCDT-UHFFFAOYSA-N
MW126.16 g/mol
LogP0.95
Rot. Bonds3

About 2-(ethoxymethyl)-1H-imidazole

2-(ethoxymethyl)-1H-imidazole (PubChem CID 15043882) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is 2-(ethoxymethyl)-1H-imidazole.

Molecular Properties

Compound Name2-(ethoxymethyl)-1H-imidazole
PubChem CID15043882
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Name2-(ethoxymethyl)-1H-imidazole
SMILESCCOCc1ncc[nH]1
InChIInChI=1S/C6H10N2O/c1-2-9-5-6-7-3-4-8-6/h3-4H,2,5H2,1H3,(H,7,8)
InChIKeyXFLFAULFAINCDT-UHFFFAOYSA-N
XLogP0.95
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethyl)-1H-imidazole?
The IUPAC name of 2-(ethoxymethyl)-1H-imidazole (CID 15043882) is 2-(ethoxymethyl)-1H-imidazole.
What is the SMILES notation for 2-(ethoxymethyl)-1H-imidazole?
The canonical SMILES for 2-(ethoxymethyl)-1H-imidazole is CCOCc1ncc[nH]1.
What is the InChIKey of 2-(ethoxymethyl)-1H-imidazole?
The InChIKey is XFLFAULFAINCDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O/c1-2-9-5-6-7-3-4-8-6/h3-4H,2,5H2,1H3,(H,7,8).
What are the key properties of 2-(ethoxymethyl)-1H-imidazole?
2-(ethoxymethyl)-1H-imidazole has a molecular weight of 126.16 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)-1H-imidazole is sourced from PubChem (CID 15043882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).