(4S)-4-ethyl-1-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-2-one

C11H12F3N3O — CID 140625322

IUPAC(4S)-4-ethyl-1-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-2-one
SMILESCC[C@H]1CN(c2ccc(C(F)(F)F)nc2)C(=O)N1
InChIInChI=1S/C11H12F3N3O/c1-2-7-6-17(10(18)16-7)8-3-4-9(15-5-8)11(12,13)14/h3-5,7H,2,6H2,1H3,(H,16,18)/t7-/m0/s1
InChIKeyJAHYUHBVRHMEJX-ZETCQYMHSA-N
MW259.23 g/mol
LogP2.41
Rot. Bonds2

About (4S)-4-ethyl-1-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-2-one

(4S)-4-ethyl-1-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-2-one (PubChem CID 140625322) has the molecular formula C11H12F3N3O and a molecular weight of 259.23 g/mol. Its IUPAC name is (4S)-4-ethyl-1-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-ethyl-1-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-2-one
PubChem CID140625322
Molecular FormulaC11H12F3N3O
Molecular Weight259.23 g/mol
Exact Mass259.09
IUPAC Name(4S)-4-ethyl-1-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-2-one
SMILESCC[C@H]1CN(c2ccc(C(F)(F)F)nc2)C(=O)N1
InChIInChI=1S/C11H12F3N3O/c1-2-7-6-17(10(18)16-7)8-3-4-9(15-5-8)11(12,13)14/h3-5,7H,2,6H2,1H3,(H,16,18)/t7-/m0/s1
InChIKeyJAHYUHBVRHMEJX-ZETCQYMHSA-N
XLogP2.41
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.23
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-ethyl-1-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-2-one?
The IUPAC name of (4S)-4-ethyl-1-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-2-one (CID 140625322) is (4S)-4-ethyl-1-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-2-one.
What is the SMILES notation for (4S)-4-ethyl-1-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-2-one?
The canonical SMILES for (4S)-4-ethyl-1-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-2-one is CC[C@H]1CN(c2ccc(C(F)(F)F)nc2)C(=O)N1.
What is the InChIKey of (4S)-4-ethyl-1-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-2-one?
The InChIKey is JAHYUHBVRHMEJX-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H12F3N3O/c1-2-7-6-17(10(18)16-7)8-3-4-9(15-5-8)11(12,13)14/h3-5,7H,2,6H2,1H3,(H,16,18)/t7-/m0/s1.
What are the key properties of (4S)-4-ethyl-1-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-2-one?
(4S)-4-ethyl-1-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-2-one has a molecular weight of 259.23 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-ethyl-1-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-2-one is sourced from PubChem (CID 140625322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).