1-(2,3,5-trimethyl-2H-imidazol-1-yl)ethanone

C8H14N2O — CID 141071074

IUPAC1-(2,3,5-trimethyl-2H-imidazol-1-yl)ethanone
SMILESCC(=O)N1C(C)=CN(C)C1C
InChIInChI=1S/C8H14N2O/c1-6-5-9(4)7(2)10(6)8(3)11/h5,7H,1-4H3
InChIKeyRIEZQBBKTNFMMI-UHFFFAOYSA-N
MW154.21 g/mol
LogP0.99
Rot. Bonds

About 1-(2,3,5-trimethyl-2H-imidazol-1-yl)ethanone

1-(2,3,5-trimethyl-2H-imidazol-1-yl)ethanone (PubChem CID 141071074) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 1-(2,3,5-trimethyl-2H-imidazol-1-yl)ethanone.

Molecular Properties

Compound Name1-(2,3,5-trimethyl-2H-imidazol-1-yl)ethanone
PubChem CID141071074
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name1-(2,3,5-trimethyl-2H-imidazol-1-yl)ethanone
SMILESCC(=O)N1C(C)=CN(C)C1C
InChIInChI=1S/C8H14N2O/c1-6-5-9(4)7(2)10(6)8(3)11/h5,7H,1-4H3
InChIKeyRIEZQBBKTNFMMI-UHFFFAOYSA-N
XLogP0.99
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-Dihydro-1,3,4-trimethyl-2H-imidazol-2-one
CID 11051656
1-Acetyl-3-ethyl-4,5-dimethylimidazol-2-one
CID 15880319
1,3-Diacetyl-4-methyl-1,3-dihydro-2H-imidazol-2-one
CID 12699181
4-Methyl-1,3-di(propan-2-yl)imidazol-2-one
CID 85551232
1,3-Diacetyl-4-(bromomethyl)imidazol-2-one
CID 18922337
3-Ethyl-1,4-dimethylimidazol-2-one
CID 59571529
1-(3-Acetyl-2,2-dimethylimidazol-1-yl)ethanone
CID 59677973
3,4-Diethyl-1-methylimidazol-2-one
CID 68214542
3-Acetyl-4-methyl-2-oxoimidazole-1-carbonyl chloride
CID 88824957
N-[[ethenyl(propan-2-yl)amino]methyl]-N-propan-2-ylacetamide
CID 89041904
N-[[2-methylprop-1-enyl(propan-2-yl)amino]methyl]-N-propan-2-ylacetamide
CID 89057682
1,3-Ditert-butyl-4-methylimidazol-2-one
CID 118941374

Frequently Asked Questions

What is the IUPAC name of 1-(2,3,5-trimethyl-2H-imidazol-1-yl)ethanone?
The IUPAC name of 1-(2,3,5-trimethyl-2H-imidazol-1-yl)ethanone (CID 141071074) is 1-(2,3,5-trimethyl-2H-imidazol-1-yl)ethanone.
What is the SMILES notation for 1-(2,3,5-trimethyl-2H-imidazol-1-yl)ethanone?
The canonical SMILES for 1-(2,3,5-trimethyl-2H-imidazol-1-yl)ethanone is CC(=O)N1C(C)=CN(C)C1C.
What is the InChIKey of 1-(2,3,5-trimethyl-2H-imidazol-1-yl)ethanone?
The InChIKey is RIEZQBBKTNFMMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-6-5-9(4)7(2)10(6)8(3)11/h5,7H,1-4H3.
What are the key properties of 1-(2,3,5-trimethyl-2H-imidazol-1-yl)ethanone?
1-(2,3,5-trimethyl-2H-imidazol-1-yl)ethanone has a molecular weight of 154.21 g/mol, XLogP of 0.99, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,5-trimethyl-2H-imidazol-1-yl)ethanone is sourced from PubChem (CID 141071074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).