1-(2-ethoxyethyl)-3-methyl-2H-imidazole

C8H16N2O — CID 66835488

IUPAC1-(2-ethoxyethyl)-3-methyl-2H-imidazole
SMILESCCOCCN1C=CN(C)C1
InChIInChI=1S/C8H16N2O/c1-3-11-7-6-10-5-4-9(2)8-10/h4-5H,3,6-8H2,1-2H3
InChIKeyGNPAIJQXLFMEHA-UHFFFAOYSA-N
MW156.23 g/mol
LogP0.70
Rot. Bonds4

About 1-(2-ethoxyethyl)-3-methyl-2H-imidazole

1-(2-ethoxyethyl)-3-methyl-2H-imidazole (PubChem CID 66835488) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 1-(2-ethoxyethyl)-3-methyl-2H-imidazole.

Molecular Properties

Compound Name1-(2-ethoxyethyl)-3-methyl-2H-imidazole
PubChem CID66835488
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name1-(2-ethoxyethyl)-3-methyl-2H-imidazole
SMILESCCOCCN1C=CN(C)C1
InChIInChI=1S/C8H16N2O/c1-3-11-7-6-10-5-4-9(2)8-10/h4-5H,3,6-8H2,1-2H3
InChIKeyGNPAIJQXLFMEHA-UHFFFAOYSA-N
XLogP0.70
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyethyl)-3-methyl-2H-imidazole?
The IUPAC name of 1-(2-ethoxyethyl)-3-methyl-2H-imidazole (CID 66835488) is 1-(2-ethoxyethyl)-3-methyl-2H-imidazole.
What is the SMILES notation for 1-(2-ethoxyethyl)-3-methyl-2H-imidazole?
The canonical SMILES for 1-(2-ethoxyethyl)-3-methyl-2H-imidazole is CCOCCN1C=CN(C)C1.
What is the InChIKey of 1-(2-ethoxyethyl)-3-methyl-2H-imidazole?
The InChIKey is GNPAIJQXLFMEHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-3-11-7-6-10-5-4-9(2)8-10/h4-5H,3,6-8H2,1-2H3.
What are the key properties of 1-(2-ethoxyethyl)-3-methyl-2H-imidazole?
1-(2-ethoxyethyl)-3-methyl-2H-imidazole has a molecular weight of 156.23 g/mol, XLogP of 0.70, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethyl)-3-methyl-2H-imidazole is sourced from PubChem (CID 66835488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).