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

C8H12N2O — CID 21028287

IUPAC1-(1,4,5-trimethylimidazol-2-yl)ethanone
SMILESCC(=O)c1nc(C)c(C)n1C
InChIInChI=1S/C8H12N2O/c1-5-6(2)10(4)8(9-5)7(3)11/h1-4H3
InChIKeyAGLJRZFEVAQVBX-UHFFFAOYSA-N
MW152.20 g/mol
LogP1.24
Rot. Bonds1

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

1-(1,4,5-trimethylimidazol-2-yl)ethanone (PubChem CID 21028287) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 1-(1,4,5-trimethylimidazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(1,4,5-trimethylimidazol-2-yl)ethanone
PubChem CID21028287
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name1-(1,4,5-trimethylimidazol-2-yl)ethanone
SMILESCC(=O)c1nc(C)c(C)n1C
InChIInChI=1S/C8H12N2O/c1-5-6(2)10(4)8(9-5)7(3)11/h1-4H3
InChIKeyAGLJRZFEVAQVBX-UHFFFAOYSA-N
XLogP1.24
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1,4,5-trimethylimidazol-2-yl)ethanone?
The IUPAC name of 1-(1,4,5-trimethylimidazol-2-yl)ethanone (CID 21028287) is 1-(1,4,5-trimethylimidazol-2-yl)ethanone.
What is the SMILES notation for 1-(1,4,5-trimethylimidazol-2-yl)ethanone?
The canonical SMILES for 1-(1,4,5-trimethylimidazol-2-yl)ethanone is CC(=O)c1nc(C)c(C)n1C.
What is the InChIKey of 1-(1,4,5-trimethylimidazol-2-yl)ethanone?
The InChIKey is AGLJRZFEVAQVBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-5-6(2)10(4)8(9-5)7(3)11/h1-4H3.
What are the key properties of 1-(1,4,5-trimethylimidazol-2-yl)ethanone?
1-(1,4,5-trimethylimidazol-2-yl)ethanone has a molecular weight of 152.20 g/mol, XLogP of 1.24, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4,5-trimethylimidazol-2-yl)ethanone is sourced from PubChem (CID 21028287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).