2-ethyl-2,4,5-trimethylimidazole

C8H14N2 — CID 5325310

IUPAC2-ethyl-2,4,5-trimethylimidazole
SMILESCCC1(C)N=C(C)C(C)=N1
InChIInChI=1S/C8H14N2/c1-5-8(4)9-6(2)7(3)10-8/h5H2,1-4H3
InChIKeyDHQSYHZZNWHZIH-UHFFFAOYSA-N
MW138.21 g/mol
LogP2.05
Rot. Bonds1

About 2-ethyl-2,4,5-trimethylimidazole

2-ethyl-2,4,5-trimethylimidazole (PubChem CID 5325310) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 2-ethyl-2,4,5-trimethylimidazole.

Molecular Properties

Compound Name2-ethyl-2,4,5-trimethylimidazole
PubChem CID5325310
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name2-ethyl-2,4,5-trimethylimidazole
SMILESCCC1(C)N=C(C)C(C)=N1
InChIInChI=1S/C8H14N2/c1-5-8(4)9-6(2)7(3)10-8/h5H2,1-4H3
InChIKeyDHQSYHZZNWHZIH-UHFFFAOYSA-N
XLogP2.05
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2,4,5-trimethylimidazole?
The IUPAC name of 2-ethyl-2,4,5-trimethylimidazole (CID 5325310) is 2-ethyl-2,4,5-trimethylimidazole.
What is the SMILES notation for 2-ethyl-2,4,5-trimethylimidazole?
The canonical SMILES for 2-ethyl-2,4,5-trimethylimidazole is CCC1(C)N=C(C)C(C)=N1.
What is the InChIKey of 2-ethyl-2,4,5-trimethylimidazole?
The InChIKey is DHQSYHZZNWHZIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c1-5-8(4)9-6(2)7(3)10-8/h5H2,1-4H3.
What are the key properties of 2-ethyl-2,4,5-trimethylimidazole?
2-ethyl-2,4,5-trimethylimidazole has a molecular weight of 138.21 g/mol, XLogP of 2.05, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2,4,5-trimethylimidazole is sourced from PubChem (CID 5325310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).