3-[4-(1,1,2,2,3,3,3-heptafluoropropylsulfanyl)phenyl]-5-(2-pyridin-4-ylpropan-2-yl)imidazolidine-2,4-dione

C20H16F7N3O2S — CID 140525134

IUPAC3-[4-(1,1,2,2,3,3,3-heptafluoropropylsulfanyl)phenyl]-5-(2-pyridin-4-ylpropan-2-yl)imidazolidine-2,4-dione
SMILESCC(C)(c1ccncc1)C1NC(=O)N(c2ccc(SC(F)(F)C(F)(F)C(F)(F)F)cc2)C1=O
InChIInChI=1S/C20H16F7N3O2S/c1-17(2,11-7-9-28-10-8-11)14-15(31)30(16(32)29-14)12-3-5-13(6-4-12)33-20(26,27)18(21,22)19(23,24)25/h3-10,14H,1-2H3,(H,29,32)
InChIKeyIQAXBHGNDMNOGE-UHFFFAOYSA-N
MW495.42 g/mol
LogP5.37
Rot. Bonds6

About 3-[4-(1,1,2,2,3,3,3-heptafluoropropylsulfanyl)phenyl]-5-(2-pyridin-4-ylpropan-2-yl)imidazolidine-2,4-dione

3-[4-(1,1,2,2,3,3,3-heptafluoropropylsulfanyl)phenyl]-5-(2-pyridin-4-ylpropan-2-yl)imidazolidine-2,4-dione (PubChem CID 140525134) has the molecular formula C20H16F7N3O2S and a molecular weight of 495.42 g/mol. Its IUPAC name is 3-[4-(1,1,2,2,3,3,3-heptafluoropropylsulfanyl)phenyl]-5-(2-pyridin-4-ylpropan-2-yl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[4-(1,1,2,2,3,3,3-heptafluoropropylsulfanyl)phenyl]-5-(2-pyridin-4-ylpropan-2-yl)imidazolidine-2,4-dione
PubChem CID140525134
Molecular FormulaC20H16F7N3O2S
Molecular Weight495.42 g/mol
Exact Mass495.09
IUPAC Name3-[4-(1,1,2,2,3,3,3-heptafluoropropylsulfanyl)phenyl]-5-(2-pyridin-4-ylpropan-2-yl)imidazolidine-2,4-dione
SMILESCC(C)(c1ccncc1)C1NC(=O)N(c2ccc(SC(F)(F)C(F)(F)C(F)(F)F)cc2)C1=O
InChIInChI=1S/C20H16F7N3O2S/c1-17(2,11-7-9-28-10-8-11)14-15(31)30(16(32)29-14)12-3-5-13(6-4-12)33-20(26,27)18(21,22)19(23,24)25/h3-10,14H,1-2H3,(H,29,32)
InChIKeyIQAXBHGNDMNOGE-UHFFFAOYSA-N
XLogP5.37
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.42
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 3-[4-(1,1,2,2,3,3,3-heptafluoropropylsulfanyl)phenyl]-5-(2-pyridin-4-ylpropan-2-yl)imidazolidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[4-(1,1,2,2,3,3,3-heptafluoropropylsulfanyl)phenyl]-5-(2-pyridin-4-ylpropan-2-yl)imidazolidine-2,4-dione?
The IUPAC name of 3-[4-(1,1,2,2,3,3,3-heptafluoropropylsulfanyl)phenyl]-5-(2-pyridin-4-ylpropan-2-yl)imidazolidine-2,4-dione (CID 140525134) is 3-[4-(1,1,2,2,3,3,3-heptafluoropropylsulfanyl)phenyl]-5-(2-pyridin-4-ylpropan-2-yl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-[4-(1,1,2,2,3,3,3-heptafluoropropylsulfanyl)phenyl]-5-(2-pyridin-4-ylpropan-2-yl)imidazolidine-2,4-dione?
The canonical SMILES for 3-[4-(1,1,2,2,3,3,3-heptafluoropropylsulfanyl)phenyl]-5-(2-pyridin-4-ylpropan-2-yl)imidazolidine-2,4-dione is CC(C)(c1ccncc1)C1NC(=O)N(c2ccc(SC(F)(F)C(F)(F)C(F)(F)F)cc2)C1=O.
What is the InChIKey of 3-[4-(1,1,2,2,3,3,3-heptafluoropropylsulfanyl)phenyl]-5-(2-pyridin-4-ylpropan-2-yl)imidazolidine-2,4-dione?
The InChIKey is IQAXBHGNDMNOGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F7N3O2S/c1-17(2,11-7-9-28-10-8-11)14-15(31)30(16(32)29-14)12-3-5-13(6-4-12)33-20(26,27)18(21,22)19(23,24)25/h3-10,14H,1-2H3,(H,29,32).
What are the key properties of 3-[4-(1,1,2,2,3,3,3-heptafluoropropylsulfanyl)phenyl]-5-(2-pyridin-4-ylpropan-2-yl)imidazolidine-2,4-dione?
3-[4-(1,1,2,2,3,3,3-heptafluoropropylsulfanyl)phenyl]-5-(2-pyridin-4-ylpropan-2-yl)imidazolidine-2,4-dione has a molecular weight of 495.42 g/mol, XLogP of 5.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1,1,2,2,3,3,3-heptafluoropropylsulfanyl)phenyl]-5-(2-pyridin-4-ylpropan-2-yl)imidazolidine-2,4-dione is sourced from PubChem (CID 140525134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).