5-[3,5-bis(trifluoromethyl)phenyl]-1-methylimidazolidin-2-one

C12H10F6N2O — CID 88580189

IUPAC5-[3,5-bis(trifluoromethyl)phenyl]-1-methylimidazolidin-2-one
SMILESCN1C(=O)NCC1c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C12H10F6N2O/c1-20-9(5-19-10(20)21)6-2-7(11(13,14)15)4-8(3-6)12(16,17)18/h2-4,9H,5H2,1H3,(H,19,21)
InChIKeyLYNUEHJOQCMUFE-UHFFFAOYSA-N
MW312.21 g/mol
LogP3.42
Rot. Bonds1

About 5-[3,5-bis(trifluoromethyl)phenyl]-1-methylimidazolidin-2-one

5-[3,5-bis(trifluoromethyl)phenyl]-1-methylimidazolidin-2-one (PubChem CID 88580189) has the molecular formula C12H10F6N2O and a molecular weight of 312.21 g/mol. Its IUPAC name is 5-[3,5-bis(trifluoromethyl)phenyl]-1-methylimidazolidin-2-one.

Molecular Properties

Compound Name5-[3,5-bis(trifluoromethyl)phenyl]-1-methylimidazolidin-2-one
PubChem CID88580189
Molecular FormulaC12H10F6N2O
Molecular Weight312.21 g/mol
Exact Mass312.07
IUPAC Name5-[3,5-bis(trifluoromethyl)phenyl]-1-methylimidazolidin-2-one
SMILESCN1C(=O)NCC1c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C12H10F6N2O/c1-20-9(5-19-10(20)21)6-2-7(11(13,14)15)4-8(3-6)12(16,17)18/h2-4,9H,5H2,1H3,(H,19,21)
InChIKeyLYNUEHJOQCMUFE-UHFFFAOYSA-N
XLogP3.42
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.21
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-[3,5-bis(trifluoromethyl)phenyl]-1-methylimidazolidin-2-one?
The IUPAC name of 5-[3,5-bis(trifluoromethyl)phenyl]-1-methylimidazolidin-2-one (CID 88580189) is 5-[3,5-bis(trifluoromethyl)phenyl]-1-methylimidazolidin-2-one.
What is the SMILES notation for 5-[3,5-bis(trifluoromethyl)phenyl]-1-methylimidazolidin-2-one?
The canonical SMILES for 5-[3,5-bis(trifluoromethyl)phenyl]-1-methylimidazolidin-2-one is CN1C(=O)NCC1c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of 5-[3,5-bis(trifluoromethyl)phenyl]-1-methylimidazolidin-2-one?
The InChIKey is LYNUEHJOQCMUFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F6N2O/c1-20-9(5-19-10(20)21)6-2-7(11(13,14)15)4-8(3-6)12(16,17)18/h2-4,9H,5H2,1H3,(H,19,21).
What are the key properties of 5-[3,5-bis(trifluoromethyl)phenyl]-1-methylimidazolidin-2-one?
5-[3,5-bis(trifluoromethyl)phenyl]-1-methylimidazolidin-2-one has a molecular weight of 312.21 g/mol, XLogP of 3.42, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3,5-bis(trifluoromethyl)phenyl]-1-methylimidazolidin-2-one is sourced from PubChem (CID 88580189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).