1-(4,5-dimethylimidazol-1-yl)propan-2-one

C8H12N2O — CID 18741006

IUPAC1-(4,5-dimethylimidazol-1-yl)propan-2-one
SMILESCC(=O)Cn1cnc(C)c1C
InChIInChI=1S/C8H12N2O/c1-6(11)4-10-5-9-7(2)8(10)3/h5H,4H2,1-3H3
InChIKeyGEJVQNWNPGFNFX-UHFFFAOYSA-N
MW152.20 g/mol
LogP1.09
Rot. Bonds2

About 1-(4,5-dimethylimidazol-1-yl)propan-2-one

1-(4,5-dimethylimidazol-1-yl)propan-2-one (PubChem CID 18741006) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 1-(4,5-dimethylimidazol-1-yl)propan-2-one.

Molecular Properties

Compound Name1-(4,5-dimethylimidazol-1-yl)propan-2-one
PubChem CID18741006
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name1-(4,5-dimethylimidazol-1-yl)propan-2-one
SMILESCC(=O)Cn1cnc(C)c1C
InChIInChI=1S/C8H12N2O/c1-6(11)4-10-5-9-7(2)8(10)3/h5H,4H2,1-3H3
InChIKeyGEJVQNWNPGFNFX-UHFFFAOYSA-N
XLogP1.09
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,4,5-trimethyl-1H-imidazol-2-yl)ethan-1-one
CID 21028287
1,4,5-Trimethyl-1H-imidazole
CID 573598
1,3,4,5-Tetramethylimidazol-1-ium
CID 5252105
4,5-Dimethyl-1-propan-2-ylimidazole
CID 11988730
1,3,4,5-Tetramethylimidazolium iodide
CID 24850667
1-Ethyl-3,4,5-trimethylimidazol-3-ium chloride
CID 139176859
1-(2-Fluoroethyl)-4,5-dimethylimidazole
CID 115694990
4,5-Dimethyl-1,3-di(propan-2-yl)imidazol-1-ium;oxomethylidenephosphanide
CID 139174505
1-Ethyl-3,4,5-trimethylimidazol-3-ium;hydrogen carbonate
CID 139176858
2-(4,5-dimethylimidazol-1-yl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 56789699
2-(4,5-Dimethylimidazol-1-yl)-2-fluoroacetic acid
CID 81297608
2,2,2-Trifluoro-1-(1,4,5-trimethylimidazol-2-yl)ethanone
CID 83389029

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethylimidazol-1-yl)propan-2-one?
The IUPAC name of 1-(4,5-dimethylimidazol-1-yl)propan-2-one (CID 18741006) is 1-(4,5-dimethylimidazol-1-yl)propan-2-one.
What is the SMILES notation for 1-(4,5-dimethylimidazol-1-yl)propan-2-one?
The canonical SMILES for 1-(4,5-dimethylimidazol-1-yl)propan-2-one is CC(=O)Cn1cnc(C)c1C.
What is the InChIKey of 1-(4,5-dimethylimidazol-1-yl)propan-2-one?
The InChIKey is GEJVQNWNPGFNFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-6(11)4-10-5-9-7(2)8(10)3/h5H,4H2,1-3H3.
What are the key properties of 1-(4,5-dimethylimidazol-1-yl)propan-2-one?
1-(4,5-dimethylimidazol-1-yl)propan-2-one has a molecular weight of 152.20 g/mol, XLogP of 1.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethylimidazol-1-yl)propan-2-one is sourced from PubChem (CID 18741006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).