2-(2-methylphenyl)-3-(2,2,2-trifluoroethyl)imidazolidin-4-one

C12H13F3N2O — CID 115282336

IUPAC2-(2-methylphenyl)-3-(2,2,2-trifluoroethyl)imidazolidin-4-one
SMILESCc1ccccc1C1NCC(=O)N1CC(F)(F)F
InChIInChI=1S/C12H13F3N2O/c1-8-4-2-3-5-9(8)11-16-6-10(18)17(11)7-12(13,14)15/h2-5,11,16H,6-7H2,1H3
InChIKeyVBHVWUOMAXWBBJ-UHFFFAOYSA-N
MW258.24 g/mol
LogP1.99
Rot. Bonds2

About 2-(2-methylphenyl)-3-(2,2,2-trifluoroethyl)imidazolidin-4-one

2-(2-methylphenyl)-3-(2,2,2-trifluoroethyl)imidazolidin-4-one (PubChem CID 115282336) has the molecular formula C12H13F3N2O and a molecular weight of 258.24 g/mol. Its IUPAC name is 2-(2-methylphenyl)-3-(2,2,2-trifluoroethyl)imidazolidin-4-one.

Molecular Properties

Compound Name2-(2-methylphenyl)-3-(2,2,2-trifluoroethyl)imidazolidin-4-one
PubChem CID115282336
Molecular FormulaC12H13F3N2O
Molecular Weight258.24 g/mol
Exact Mass258.10
IUPAC Name2-(2-methylphenyl)-3-(2,2,2-trifluoroethyl)imidazolidin-4-one
SMILESCc1ccccc1C1NCC(=O)N1CC(F)(F)F
InChIInChI=1S/C12H13F3N2O/c1-8-4-2-3-5-9(8)11-16-6-10(18)17(11)7-12(13,14)15/h2-5,11,16H,6-7H2,1H3
InChIKeyVBHVWUOMAXWBBJ-UHFFFAOYSA-N
XLogP1.99
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.24
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-3-(2,2,2-trifluoroethyl)imidazolidin-4-one?
The IUPAC name of 2-(2-methylphenyl)-3-(2,2,2-trifluoroethyl)imidazolidin-4-one (CID 115282336) is 2-(2-methylphenyl)-3-(2,2,2-trifluoroethyl)imidazolidin-4-one.
What is the SMILES notation for 2-(2-methylphenyl)-3-(2,2,2-trifluoroethyl)imidazolidin-4-one?
The canonical SMILES for 2-(2-methylphenyl)-3-(2,2,2-trifluoroethyl)imidazolidin-4-one is Cc1ccccc1C1NCC(=O)N1CC(F)(F)F.
What is the InChIKey of 2-(2-methylphenyl)-3-(2,2,2-trifluoroethyl)imidazolidin-4-one?
The InChIKey is VBHVWUOMAXWBBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O/c1-8-4-2-3-5-9(8)11-16-6-10(18)17(11)7-12(13,14)15/h2-5,11,16H,6-7H2,1H3.
What are the key properties of 2-(2-methylphenyl)-3-(2,2,2-trifluoroethyl)imidazolidin-4-one?
2-(2-methylphenyl)-3-(2,2,2-trifluoroethyl)imidazolidin-4-one has a molecular weight of 258.24 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-3-(2,2,2-trifluoroethyl)imidazolidin-4-one is sourced from PubChem (CID 115282336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).