1-[(2-hydroxyphenyl)-pyridin-4-ylmethyl]-5,5-dimethyl-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidine-2,4-dione

C24H20F3N3O3S — CID 91457548

IUPAC1-[(2-hydroxyphenyl)-pyridin-4-ylmethyl]-5,5-dimethyl-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidine-2,4-dione
SMILESCC1(C)C(=O)N(c2ccc(SC(F)(F)F)cc2)C(=O)N1C(c1ccncc1)c1ccccc1O
InChIInChI=1S/C24H20F3N3O3S/c1-23(2)21(32)29(16-7-9-17(10-8-16)34-24(25,26)27)22(33)30(23)20(15-11-13-28-14-12-15)18-5-3-4-6-19(18)31/h3-14,20,31H,1-2H3
InChIKeyIETQQICKXPEPDK-UHFFFAOYSA-N
MW487.50 g/mol
LogP5.74
Rot. Bonds5

About 1-[(2-hydroxyphenyl)-pyridin-4-ylmethyl]-5,5-dimethyl-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidine-2,4-dione

1-[(2-hydroxyphenyl)-pyridin-4-ylmethyl]-5,5-dimethyl-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidine-2,4-dione (PubChem CID 91457548) has the molecular formula C24H20F3N3O3S and a molecular weight of 487.50 g/mol. Its IUPAC name is 1-[(2-hydroxyphenyl)-pyridin-4-ylmethyl]-5,5-dimethyl-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[(2-hydroxyphenyl)-pyridin-4-ylmethyl]-5,5-dimethyl-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidine-2,4-dione
PubChem CID91457548
Molecular FormulaC24H20F3N3O3S
Molecular Weight487.50 g/mol
Exact Mass487.12
IUPAC Name1-[(2-hydroxyphenyl)-pyridin-4-ylmethyl]-5,5-dimethyl-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidine-2,4-dione
SMILESCC1(C)C(=O)N(c2ccc(SC(F)(F)F)cc2)C(=O)N1C(c1ccncc1)c1ccccc1O
InChIInChI=1S/C24H20F3N3O3S/c1-23(2)21(32)29(16-7-9-17(10-8-16)34-24(25,26)27)22(33)30(23)20(15-11-13-28-14-12-15)18-5-3-4-6-19(18)31/h3-14,20,31H,1-2H3
InChIKeyIETQQICKXPEPDK-UHFFFAOYSA-N
XLogP5.74
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.50
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-hydroxyphenyl)-pyridin-4-ylmethyl]-5,5-dimethyl-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidine-2,4-dione?
The IUPAC name of 1-[(2-hydroxyphenyl)-pyridin-4-ylmethyl]-5,5-dimethyl-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidine-2,4-dione (CID 91457548) is 1-[(2-hydroxyphenyl)-pyridin-4-ylmethyl]-5,5-dimethyl-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidine-2,4-dione.
What is the SMILES notation for 1-[(2-hydroxyphenyl)-pyridin-4-ylmethyl]-5,5-dimethyl-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidine-2,4-dione?
The canonical SMILES for 1-[(2-hydroxyphenyl)-pyridin-4-ylmethyl]-5,5-dimethyl-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidine-2,4-dione is CC1(C)C(=O)N(c2ccc(SC(F)(F)F)cc2)C(=O)N1C(c1ccncc1)c1ccccc1O.
What is the InChIKey of 1-[(2-hydroxyphenyl)-pyridin-4-ylmethyl]-5,5-dimethyl-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidine-2,4-dione?
The InChIKey is IETQQICKXPEPDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N3O3S/c1-23(2)21(32)29(16-7-9-17(10-8-16)34-24(25,26)27)22(33)30(23)20(15-11-13-28-14-12-15)18-5-3-4-6-19(18)31/h3-14,20,31H,1-2H3.
What are the key properties of 1-[(2-hydroxyphenyl)-pyridin-4-ylmethyl]-5,5-dimethyl-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidine-2,4-dione?
1-[(2-hydroxyphenyl)-pyridin-4-ylmethyl]-5,5-dimethyl-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidine-2,4-dione has a molecular weight of 487.50 g/mol, XLogP of 5.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-hydroxyphenyl)-pyridin-4-ylmethyl]-5,5-dimethyl-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidine-2,4-dione is sourced from PubChem (CID 91457548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).