1-[3-methyl-2-(trifluoromethyl)imidazol-4-yl]propan-1-one

C8H9F3N2O — CID 174553940

IUPAC1-[3-methyl-2-(trifluoromethyl)imidazol-4-yl]propan-1-one
SMILESCCC(=O)c1cnc(C(F)(F)F)n1C
InChIInChI=1S/C8H9F3N2O/c1-3-6(14)5-4-12-7(13(5)2)8(9,10)11/h4H,3H2,1-2H3
InChIKeyHNBCZFWXBVAIOI-UHFFFAOYSA-N
MW206.17 g/mol
LogP2.03
Rot. Bonds2

About 1-[3-methyl-2-(trifluoromethyl)imidazol-4-yl]propan-1-one

1-[3-methyl-2-(trifluoromethyl)imidazol-4-yl]propan-1-one (PubChem CID 174553940) has the molecular formula C8H9F3N2O and a molecular weight of 206.17 g/mol. Its IUPAC name is 1-[3-methyl-2-(trifluoromethyl)imidazol-4-yl]propan-1-one.

Molecular Properties

Compound Name1-[3-methyl-2-(trifluoromethyl)imidazol-4-yl]propan-1-one
PubChem CID174553940
Molecular FormulaC8H9F3N2O
Molecular Weight206.17 g/mol
Exact Mass206.07
IUPAC Name1-[3-methyl-2-(trifluoromethyl)imidazol-4-yl]propan-1-one
SMILESCCC(=O)c1cnc(C(F)(F)F)n1C
InChIInChI=1S/C8H9F3N2O/c1-3-6(14)5-4-12-7(13(5)2)8(9,10)11/h4H,3H2,1-2H3
InChIKeyHNBCZFWXBVAIOI-UHFFFAOYSA-N
XLogP2.03
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.17
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[3-methyl-2-(trifluoromethyl)imidazol-4-yl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ethanone, 1-[2-(trifluoromethyl)-1H-imidazol-5-yl]-
CID 13483388
1-(1-methyl-1H-imidazol-5-yl)propan-1-one
CID 15128991
5H,6H,7H,8H-imidazo(1,5-a)pyridin-8-one
CID 16752069
1-(1-methyl-1H-imidazol-4-yl)ethan-1-one
CID 23143467
1-(1,2-Dimethyl-1H-imidazol-5-yl)ethan-1-one
CID 13483374
1-(1,2-Dimethyl-1H-imidazol-4-yl)ethanone
CID 13483382
1-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-2-yl}ethan-1-one
CID 45086310
1-(1-methyl-1H-imidazol-5-yl)ethan-1-one hydrochloride
CID 86775416
1-(1,3-Ditert-butylimidazol-1-ium-4-yl)ethanone;trifluoromethanesulfonate
CID 145916727
1-[2-[(dimethylamino)methyl]-1H-imidazol-5-yl]ethanone
CID 13483386
1-(1,2-Dimethylimidazol-4-yl)-4,4-dimethylpentan-1-one
CID 15882308
(E)-3-(dimethylamino)-1-(2,3-dimethylimidazol-4-yl)prop-2-en-1-one
CID 22273537

Frequently Asked Questions

What is the IUPAC name of 1-[3-methyl-2-(trifluoromethyl)imidazol-4-yl]propan-1-one?
The IUPAC name of 1-[3-methyl-2-(trifluoromethyl)imidazol-4-yl]propan-1-one (CID 174553940) is 1-[3-methyl-2-(trifluoromethyl)imidazol-4-yl]propan-1-one.
What is the SMILES notation for 1-[3-methyl-2-(trifluoromethyl)imidazol-4-yl]propan-1-one?
The canonical SMILES for 1-[3-methyl-2-(trifluoromethyl)imidazol-4-yl]propan-1-one is CCC(=O)c1cnc(C(F)(F)F)n1C.
What is the InChIKey of 1-[3-methyl-2-(trifluoromethyl)imidazol-4-yl]propan-1-one?
The InChIKey is HNBCZFWXBVAIOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O/c1-3-6(14)5-4-12-7(13(5)2)8(9,10)11/h4H,3H2,1-2H3.
What are the key properties of 1-[3-methyl-2-(trifluoromethyl)imidazol-4-yl]propan-1-one?
1-[3-methyl-2-(trifluoromethyl)imidazol-4-yl]propan-1-one has a molecular weight of 206.17 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methyl-2-(trifluoromethyl)imidazol-4-yl]propan-1-one is sourced from PubChem (CID 174553940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).