2,2,4-triethyl-5-methylimidazole

C10H18N2 — CID 5325311

IUPAC2,2,4-triethyl-5-methylimidazole
SMILESCCC1=NC(CC)(CC)N=C1C
InChIInChI=1S/C10H18N2/c1-5-9-8(4)11-10(6-2,7-3)12-9/h5-7H2,1-4H3
InChIKeyDMPWGIIQWFPHEL-UHFFFAOYSA-N
MW166.27 g/mol
LogP2.83
Rot. Bonds3

About 2,2,4-triethyl-5-methylimidazole

2,2,4-triethyl-5-methylimidazole (PubChem CID 5325311) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 2,2,4-triethyl-5-methylimidazole.

Molecular Properties

Compound Name2,2,4-triethyl-5-methylimidazole
PubChem CID5325311
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name2,2,4-triethyl-5-methylimidazole
SMILESCCC1=NC(CC)(CC)N=C1C
InChIInChI=1S/C10H18N2/c1-5-9-8(4)11-10(6-2,7-3)12-9/h5-7H2,1-4H3
InChIKeyDMPWGIIQWFPHEL-UHFFFAOYSA-N
XLogP2.83
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,4-triethyl-5-methylimidazole?
The IUPAC name of 2,2,4-triethyl-5-methylimidazole (CID 5325311) is 2,2,4-triethyl-5-methylimidazole.
What is the SMILES notation for 2,2,4-triethyl-5-methylimidazole?
The canonical SMILES for 2,2,4-triethyl-5-methylimidazole is CCC1=NC(CC)(CC)N=C1C.
What is the InChIKey of 2,2,4-triethyl-5-methylimidazole?
The InChIKey is DMPWGIIQWFPHEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-5-9-8(4)11-10(6-2,7-3)12-9/h5-7H2,1-4H3.
What are the key properties of 2,2,4-triethyl-5-methylimidazole?
2,2,4-triethyl-5-methylimidazole has a molecular weight of 166.27 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4-triethyl-5-methylimidazole is sourced from PubChem (CID 5325311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).