4-ethyl-4-methylimidazole

C6H10N2 — CID 70183243

IUPAC4-ethyl-4-methylimidazole
SMILESCCC1(C)C=NC=N1
InChIInChI=1S/C6H10N2/c1-3-6(2)4-7-5-8-6/h4-5H,3H2,1-2H3
InChIKeyICGXAYZPJPEKRR-UHFFFAOYSA-N
MW110.16 g/mol
LogP1.27
Rot. Bonds1

About 4-ethyl-4-methylimidazole

4-ethyl-4-methylimidazole (PubChem CID 70183243) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is 4-ethyl-4-methylimidazole.

Molecular Properties

Compound Name4-ethyl-4-methylimidazole
PubChem CID70183243
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC Name4-ethyl-4-methylimidazole
SMILESCCC1(C)C=NC=N1
InChIInChI=1S/C6H10N2/c1-3-6(2)4-7-5-8-6/h4-5H,3H2,1-2H3
InChIKeyICGXAYZPJPEKRR-UHFFFAOYSA-N
XLogP1.27
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-4-methylimidazole?
The IUPAC name of 4-ethyl-4-methylimidazole (CID 70183243) is 4-ethyl-4-methylimidazole.
What is the SMILES notation for 4-ethyl-4-methylimidazole?
The canonical SMILES for 4-ethyl-4-methylimidazole is CCC1(C)C=NC=N1.
What is the InChIKey of 4-ethyl-4-methylimidazole?
The InChIKey is ICGXAYZPJPEKRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2/c1-3-6(2)4-7-5-8-6/h4-5H,3H2,1-2H3.
What are the key properties of 4-ethyl-4-methylimidazole?
4-ethyl-4-methylimidazole has a molecular weight of 110.16 g/mol, XLogP of 1.27, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-4-methylimidazole is sourced from PubChem (CID 70183243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).