1-(2,4,5-trimethylimidazol-1-yl)ethanone

C8H12N2O — CID 45085931

IUPAC1-(2,4,5-trimethylimidazol-1-yl)ethanone
SMILESCC(=O)n1c(C)nc(C)c1C
InChIInChI=1S/C8H12N2O/c1-5-6(2)10(8(4)11)7(3)9-5/h1-4H3
InChIKeyTYLJWDFIKPWEGA-UHFFFAOYSA-N
MW152.20 g/mol
LogP1.47
Rot. Bonds

About 1-(2,4,5-trimethylimidazol-1-yl)ethanone

1-(2,4,5-trimethylimidazol-1-yl)ethanone (PubChem CID 45085931) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 1-(2,4,5-trimethylimidazol-1-yl)ethanone.

Molecular Properties

Compound Name1-(2,4,5-trimethylimidazol-1-yl)ethanone
PubChem CID45085931
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name1-(2,4,5-trimethylimidazol-1-yl)ethanone
SMILESCC(=O)n1c(C)nc(C)c1C
InChIInChI=1S/C8H12N2O/c1-5-6(2)10(8(4)11)7(3)9-5/h1-4H3
InChIKeyTYLJWDFIKPWEGA-UHFFFAOYSA-N
XLogP1.47
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4,5-trimethylimidazol-1-yl)ethanone?
The IUPAC name of 1-(2,4,5-trimethylimidazol-1-yl)ethanone (CID 45085931) is 1-(2,4,5-trimethylimidazol-1-yl)ethanone.
What is the SMILES notation for 1-(2,4,5-trimethylimidazol-1-yl)ethanone?
The canonical SMILES for 1-(2,4,5-trimethylimidazol-1-yl)ethanone is CC(=O)n1c(C)nc(C)c1C.
What is the InChIKey of 1-(2,4,5-trimethylimidazol-1-yl)ethanone?
The InChIKey is TYLJWDFIKPWEGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-5-6(2)10(8(4)11)7(3)9-5/h1-4H3.
What are the key properties of 1-(2,4,5-trimethylimidazol-1-yl)ethanone?
1-(2,4,5-trimethylimidazol-1-yl)ethanone has a molecular weight of 152.20 g/mol, XLogP of 1.47, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4,5-trimethylimidazol-1-yl)ethanone is sourced from PubChem (CID 45085931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).