1-methyl-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one

C11H11F3N2O — CID 90179148

IUPAC1-methyl-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
SMILESCN1CC(c2cccc(C(F)(F)F)c2)NC1=O
InChIInChI=1S/C11H11F3N2O/c1-16-6-9(15-10(16)17)7-3-2-4-8(5-7)11(12,13)14/h2-5,9H,6H2,1H3,(H,15,17)
InChIKeyVHHSFNCSQPGYLO-UHFFFAOYSA-N
MW244.22 g/mol
LogP2.40
Rot. Bonds1

About 1-methyl-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one

1-methyl-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one (PubChem CID 90179148) has the molecular formula C11H11F3N2O and a molecular weight of 244.22 g/mol. Its IUPAC name is 1-methyl-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-methyl-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
PubChem CID90179148
Molecular FormulaC11H11F3N2O
Molecular Weight244.22 g/mol
Exact Mass244.08
IUPAC Name1-methyl-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
SMILESCN1CC(c2cccc(C(F)(F)F)c2)NC1=O
InChIInChI=1S/C11H11F3N2O/c1-16-6-9(15-10(16)17)7-3-2-4-8(5-7)11(12,13)14/h2-5,9H,6H2,1H3,(H,15,17)
InChIKeyVHHSFNCSQPGYLO-UHFFFAOYSA-N
XLogP2.40
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.22
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one?
The IUPAC name of 1-methyl-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one (CID 90179148) is 1-methyl-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one.
What is the SMILES notation for 1-methyl-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one?
The canonical SMILES for 1-methyl-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one is CN1CC(c2cccc(C(F)(F)F)c2)NC1=O.
What is the InChIKey of 1-methyl-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one?
The InChIKey is VHHSFNCSQPGYLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O/c1-16-6-9(15-10(16)17)7-3-2-4-8(5-7)11(12,13)14/h2-5,9H,6H2,1H3,(H,15,17).
What are the key properties of 1-methyl-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one?
1-methyl-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one has a molecular weight of 244.22 g/mol, XLogP of 2.40, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one is sourced from PubChem (CID 90179148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).