2-[4-methyl-2-(trifluoromethyl)imidazolidin-2-yl]-1-phenylethanone

C13H15F3N2O — CID 15397104

IUPAC2-[4-methyl-2-(trifluoromethyl)imidazolidin-2-yl]-1-phenylethanone
SMILESCC1CNC(CC(=O)c2ccccc2)(C(F)(F)F)N1
InChIInChI=1S/C13H15F3N2O/c1-9-8-17-12(18-9,13(14,15)16)7-11(19)10-5-3-2-4-6-10/h2-6,9,17-18H,7-8H2,1H3
InChIKeyYCHLXCBNMRDQSU-UHFFFAOYSA-N
MW272.27 g/mol
LogP2.10
Rot. Bonds3

About 2-[4-methyl-2-(trifluoromethyl)imidazolidin-2-yl]-1-phenylethanone

2-[4-methyl-2-(trifluoromethyl)imidazolidin-2-yl]-1-phenylethanone (PubChem CID 15397104) has the molecular formula C13H15F3N2O and a molecular weight of 272.27 g/mol. Its IUPAC name is 2-[4-methyl-2-(trifluoromethyl)imidazolidin-2-yl]-1-phenylethanone.

Molecular Properties

Compound Name2-[4-methyl-2-(trifluoromethyl)imidazolidin-2-yl]-1-phenylethanone
PubChem CID15397104
Molecular FormulaC13H15F3N2O
Molecular Weight272.27 g/mol
Exact Mass272.11
IUPAC Name2-[4-methyl-2-(trifluoromethyl)imidazolidin-2-yl]-1-phenylethanone
SMILESCC1CNC(CC(=O)c2ccccc2)(C(F)(F)F)N1
InChIInChI=1S/C13H15F3N2O/c1-9-8-17-12(18-9,13(14,15)16)7-11(19)10-5-3-2-4-6-10/h2-6,9,17-18H,7-8H2,1H3
InChIKeyYCHLXCBNMRDQSU-UHFFFAOYSA-N
XLogP2.10
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 ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-2-(trifluoromethyl)imidazolidin-2-yl]-1-phenylethanone?
The IUPAC name of 2-[4-methyl-2-(trifluoromethyl)imidazolidin-2-yl]-1-phenylethanone (CID 15397104) is 2-[4-methyl-2-(trifluoromethyl)imidazolidin-2-yl]-1-phenylethanone.
What is the SMILES notation for 2-[4-methyl-2-(trifluoromethyl)imidazolidin-2-yl]-1-phenylethanone?
The canonical SMILES for 2-[4-methyl-2-(trifluoromethyl)imidazolidin-2-yl]-1-phenylethanone is CC1CNC(CC(=O)c2ccccc2)(C(F)(F)F)N1.
What is the InChIKey of 2-[4-methyl-2-(trifluoromethyl)imidazolidin-2-yl]-1-phenylethanone?
The InChIKey is YCHLXCBNMRDQSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O/c1-9-8-17-12(18-9,13(14,15)16)7-11(19)10-5-3-2-4-6-10/h2-6,9,17-18H,7-8H2,1H3.
What are the key properties of 2-[4-methyl-2-(trifluoromethyl)imidazolidin-2-yl]-1-phenylethanone?
2-[4-methyl-2-(trifluoromethyl)imidazolidin-2-yl]-1-phenylethanone has a molecular weight of 272.27 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-2-(trifluoromethyl)imidazolidin-2-yl]-1-phenylethanone is sourced from PubChem (CID 15397104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).