2-(1-methylimidazol-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanone

C13H11F3N2O — CID 115580311

IUPAC2-(1-methylimidazol-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanone
SMILESCn1ccnc1CC(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H11F3N2O/c1-18-7-6-17-12(18)8-11(19)9-2-4-10(5-3-9)13(14,15)16/h2-7H,8H2,1H3
InChIKeyKDSFTSZRFPCVAK-UHFFFAOYSA-N
MW268.24 g/mol
LogP2.86
Rot. Bonds3

About 2-(1-methylimidazol-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanone

2-(1-methylimidazol-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanone (PubChem CID 115580311) has the molecular formula C13H11F3N2O and a molecular weight of 268.24 g/mol. Its IUPAC name is 2-(1-methylimidazol-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name2-(1-methylimidazol-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanone
PubChem CID115580311
Molecular FormulaC13H11F3N2O
Molecular Weight268.24 g/mol
Exact Mass268.08
IUPAC Name2-(1-methylimidazol-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanone
SMILESCn1ccnc1CC(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H11F3N2O/c1-18-7-6-17-12(18)8-11(19)9-2-4-10(5-3-9)13(14,15)16/h2-7H,8H2,1H3
InChIKeyKDSFTSZRFPCVAK-UHFFFAOYSA-N
XLogP2.86
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.24
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-methylimidazol-2-yl)-1-(4-methylsulfanylphenyl)ethanone
CID 12049984
1-(4-chloro-3-fluorophenyl)-2-(1-methylimidazol-2-yl)ethanone
CID 107996510
N-[2-(1-methylimidazol-2-yl)ethyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 51102467
2-(1-methylimidazol-2-yl)-1-pyridazin-4-ylethanone
CID 105116274
1-(4-fluoro-3-methoxyphenyl)-2-(1-methylimidazol-2-yl)ethanone
CID 115784488
1-(4-chloro-3-methylphenyl)-2-(1-methylimidazol-2-yl)ethanone
CID 115784448
2-(1-methylimidazol-2-yl)-1-pyridin-2-ylethanone
CID 112731558
1-[4-[(1-methylimidazol-2-yl)methyl]phenyl]propan-1-one
CID 79737632
hydron;2-(1-methylimidazol-2-yl)acetic acid;hexafluorophosphate
CID 174920085
2-(1-ethylimidazol-2-yl)-1-(4-iodophenyl)ethanone
CID 115783583
2-(1-methylimidazol-2-yl)-1-(2-methylpyrimidin-4-yl)ethanone
CID 115529672
1-(4-aminophenyl)-3-(1-methylimidazol-2-yl)propan-1-one
CID 114533179

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylimidazol-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of 2-(1-methylimidazol-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanone (CID 115580311) is 2-(1-methylimidazol-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for 2-(1-methylimidazol-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for 2-(1-methylimidazol-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanone is Cn1ccnc1CC(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-(1-methylimidazol-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanone?
The InChIKey is KDSFTSZRFPCVAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O/c1-18-7-6-17-12(18)8-11(19)9-2-4-10(5-3-9)13(14,15)16/h2-7H,8H2,1H3.
What are the key properties of 2-(1-methylimidazol-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanone?
2-(1-methylimidazol-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanone has a molecular weight of 268.24 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylimidazol-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 115580311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).