2-(diethoxymethyl)-1H-imidazole

C8H14N2O2 — CID 566401

IUPAC2-(diethoxymethyl)-1H-imidazole
SMILESCCOC(OCC)c1ncc[nH]1
InChIInChI=1S/C8H14N2O2/c1-3-11-8(12-4-2)7-9-5-6-10-7/h5-6,8H,3-4H2,1-2H3,(H,9,10)
InChIKeyGDYWVVQIJJWUFA-UHFFFAOYSA-N
MW170.21 g/mol
LogP1.48
Rot. Bonds5

About 2-(diethoxymethyl)-1H-imidazole

2-(diethoxymethyl)-1H-imidazole (PubChem CID 566401) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 2-(diethoxymethyl)-1H-imidazole.

Molecular Properties

Compound Name2-(diethoxymethyl)-1H-imidazole
PubChem CID566401
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name2-(diethoxymethyl)-1H-imidazole
SMILESCCOC(OCC)c1ncc[nH]1
InChIInChI=1S/C8H14N2O2/c1-3-11-8(12-4-2)7-9-5-6-10-7/h5-6,8H,3-4H2,1-2H3,(H,9,10)
InChIKeyGDYWVVQIJJWUFA-UHFFFAOYSA-N
XLogP1.48
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(diethoxymethyl)-1H-imidazole?
The IUPAC name of 2-(diethoxymethyl)-1H-imidazole (CID 566401) is 2-(diethoxymethyl)-1H-imidazole.
What is the SMILES notation for 2-(diethoxymethyl)-1H-imidazole?
The canonical SMILES for 2-(diethoxymethyl)-1H-imidazole is CCOC(OCC)c1ncc[nH]1.
What is the InChIKey of 2-(diethoxymethyl)-1H-imidazole?
The InChIKey is GDYWVVQIJJWUFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-3-11-8(12-4-2)7-9-5-6-10-7/h5-6,8H,3-4H2,1-2H3,(H,9,10).
What are the key properties of 2-(diethoxymethyl)-1H-imidazole?
2-(diethoxymethyl)-1H-imidazole has a molecular weight of 170.21 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethoxymethyl)-1H-imidazole is sourced from PubChem (CID 566401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).