1-(4-methylphenyl)-2-[2-(trifluoromethyl)imidazolidin-2-yl]ethanone

C13H15F3N2O — CID 744467

IUPAC1-(4-methylphenyl)-2-[2-(trifluoromethyl)imidazolidin-2-yl]ethanone
SMILESCc1ccc(C(=O)CC2(C(F)(F)F)NCCN2)cc1
InChIInChI=1S/C13H15F3N2O/c1-9-2-4-10(5-3-9)11(19)8-12(13(14,15)16)17-6-7-18-12/h2-5,17-18H,6-8H2,1H3
InChIKeyNTWLTMAYPYRWFC-UHFFFAOYSA-N
MW272.27 g/mol
LogP2.02
Rot. Bonds3

About 1-(4-methylphenyl)-2-[2-(trifluoromethyl)imidazolidin-2-yl]ethanone

1-(4-methylphenyl)-2-[2-(trifluoromethyl)imidazolidin-2-yl]ethanone (PubChem CID 744467) has the molecular formula C13H15F3N2O and a molecular weight of 272.27 g/mol. Its IUPAC name is 1-(4-methylphenyl)-2-[2-(trifluoromethyl)imidazolidin-2-yl]ethanone.

Molecular Properties

Compound Name1-(4-methylphenyl)-2-[2-(trifluoromethyl)imidazolidin-2-yl]ethanone
PubChem CID744467
Molecular FormulaC13H15F3N2O
Molecular Weight272.27 g/mol
Exact Mass272.11
IUPAC Name1-(4-methylphenyl)-2-[2-(trifluoromethyl)imidazolidin-2-yl]ethanone
SMILESCc1ccc(C(=O)CC2(C(F)(F)F)NCCN2)cc1
InChIInChI=1S/C13H15F3N2O/c1-9-2-4-10(5-3-9)11(19)8-12(13(14,15)16)17-6-7-18-12/h2-5,17-18H,6-8H2,1H3
InChIKeyNTWLTMAYPYRWFC-UHFFFAOYSA-N
XLogP2.02
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.27
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-2-[2-(trifluoromethyl)imidazolidin-2-yl]ethanone?
The IUPAC name of 1-(4-methylphenyl)-2-[2-(trifluoromethyl)imidazolidin-2-yl]ethanone (CID 744467) is 1-(4-methylphenyl)-2-[2-(trifluoromethyl)imidazolidin-2-yl]ethanone.
What is the SMILES notation for 1-(4-methylphenyl)-2-[2-(trifluoromethyl)imidazolidin-2-yl]ethanone?
The canonical SMILES for 1-(4-methylphenyl)-2-[2-(trifluoromethyl)imidazolidin-2-yl]ethanone is Cc1ccc(C(=O)CC2(C(F)(F)F)NCCN2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-2-[2-(trifluoromethyl)imidazolidin-2-yl]ethanone?
The InChIKey is NTWLTMAYPYRWFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O/c1-9-2-4-10(5-3-9)11(19)8-12(13(14,15)16)17-6-7-18-12/h2-5,17-18H,6-8H2,1H3.
What are the key properties of 1-(4-methylphenyl)-2-[2-(trifluoromethyl)imidazolidin-2-yl]ethanone?
1-(4-methylphenyl)-2-[2-(trifluoromethyl)imidazolidin-2-yl]ethanone has a molecular weight of 272.27 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-2-[2-(trifluoromethyl)imidazolidin-2-yl]ethanone is sourced from PubChem (CID 744467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).