1-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]imidazolidin-2-one

C11H9ClF3N3O2S — CID 8002417

IUPAC1-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]imidazolidin-2-one
SMILESO=C(CSc1ncc(C(F)(F)F)cc1Cl)N1CCNC1=O
InChIInChI=1S/C11H9ClF3N3O2S/c12-7-3-6(11(13,14)15)4-17-9(7)21-5-8(19)18-2-1-16-10(18)20/h3-4H,1-2,5H2,(H,16,20)
InChIKeyRCQKXWLRVHSXJZ-UHFFFAOYSA-N
MW339.73 g/mol
LogP2.40
Rot. Bonds3

About 1-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]imidazolidin-2-one

1-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]imidazolidin-2-one (PubChem CID 8002417) has the molecular formula C11H9ClF3N3O2S and a molecular weight of 339.73 g/mol. Its IUPAC name is 1-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]imidazolidin-2-one
PubChem CID8002417
Molecular FormulaC11H9ClF3N3O2S
Molecular Weight339.73 g/mol
Exact Mass339.01
IUPAC Name1-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]imidazolidin-2-one
SMILESO=C(CSc1ncc(C(F)(F)F)cc1Cl)N1CCNC1=O
InChIInChI=1S/C11H9ClF3N3O2S/c12-7-3-6(11(13,14)15)4-17-9(7)21-5-8(19)18-2-1-16-10(18)20/h3-4H,1-2,5H2,(H,16,20)
InChIKeyRCQKXWLRVHSXJZ-UHFFFAOYSA-N
XLogP2.40
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.73
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]imidazolidin-2-one (CID 8002417) is 1-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]imidazolidin-2-one is O=C(CSc1ncc(C(F)(F)F)cc1Cl)N1CCNC1=O.
What is the InChIKey of 1-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]imidazolidin-2-one?
The InChIKey is RCQKXWLRVHSXJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClF3N3O2S/c12-7-3-6(11(13,14)15)4-17-9(7)21-5-8(19)18-2-1-16-10(18)20/h3-4H,1-2,5H2,(H,16,20).
What are the key properties of 1-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]imidazolidin-2-one?
1-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]imidazolidin-2-one has a molecular weight of 339.73 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]imidazolidin-2-one is sourced from PubChem (CID 8002417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).