Ethyl 1-ethyl-3-methylimidazole

C8H16N2 — CID 21869089

IUPAC1,2-diethyl-3-methyl-2H-imidazole
SMILESCCC1N(C=CN1CC)C
InChIInChI=1S/C8H16N2/c1-4-8-9(3)6-7-10(8)5-2/h6-8H,4-5H2,1-3H3
InChIKeyQYFYUEJHZUTRKT-UHFFFAOYSA-N
MW140.23 g/mol
LogP1.90
Rot. Bonds2

About Ethyl 1-ethyl-3-methylimidazole

Ethyl 1-ethyl-3-methylimidazole (PubChem CID 21869089) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 1,2-diethyl-3-methyl-2H-imidazole.

Molecular Properties

Compound NameEthyl 1-ethyl-3-methylimidazole
PubChem CID21869089
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name1,2-diethyl-3-methyl-2H-imidazole
SMILESCCC1N(C=CN1CC)C
InChIInChI=1S/C8H16N2/c1-4-8-9(3)6-7-10(8)5-2/h6-8H,4-5H2,1-3H3
InChIKeyQYFYUEJHZUTRKT-UHFFFAOYSA-N
XLogP1.90
TPSA6.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity131

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of Ethyl 1-ethyl-3-methylimidazole?
The IUPAC name of Ethyl 1-ethyl-3-methylimidazole (CID 21869089) is 1,2-diethyl-3-methyl-2H-imidazole.
What is the SMILES notation for Ethyl 1-ethyl-3-methylimidazole?
The canonical SMILES for Ethyl 1-ethyl-3-methylimidazole is CCC1N(C=CN1CC)C.
What is the InChIKey of Ethyl 1-ethyl-3-methylimidazole?
The InChIKey is QYFYUEJHZUTRKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-4-8-9(3)6-7-10(8)5-2/h6-8H,4-5H2,1-3H3.
What are the key properties of Ethyl 1-ethyl-3-methylimidazole?
Ethyl 1-ethyl-3-methylimidazole has a molecular weight of 140.23 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for Ethyl 1-ethyl-3-methylimidazole is sourced from PubChem (CID 21869089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).