5,5-dimethyl-1-[(3-methyl-4-pyridinyl)methyl]-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidine-2,4-dione

C19H18F3N3O2S — CID 10392032

IUPAC5,5-dimethyl-1-[(3-methyl-4-pyridinyl)methyl]-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidine-2,4-dione
SMILESCc1cnccc1CN1C(=O)N(c2ccc(SC(F)(F)F)cc2)C(=O)C1(C)C
InChIInChI=1S/C19H18F3N3O2S/c1-12-10-23-9-8-13(12)11-24-17(27)25(16(26)18(24,2)3)14-4-6-15(7-5-14)28-19(20,21)22/h4-10H,11H2,1-3H3
InChIKeyAKSPPWNGCFFASW-UHFFFAOYSA-N
MW409.43 g/mol
LogP4.75
Rot. Bonds4

About 5,5-dimethyl-1-[(3-methyl-4-pyridinyl)methyl]-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidine-2,4-dione

5,5-dimethyl-1-[(3-methyl-4-pyridinyl)methyl]-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidine-2,4-dione (PubChem CID 10392032) has the molecular formula C19H18F3N3O2S and a molecular weight of 409.43 g/mol. Its IUPAC name is 5,5-dimethyl-1-[(3-methyl-4-pyridinyl)methyl]-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5,5-dimethyl-1-[(3-methyl-4-pyridinyl)methyl]-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidine-2,4-dione
PubChem CID10392032
Molecular FormulaC19H18F3N3O2S
Molecular Weight409.43 g/mol
Exact Mass409.11
IUPAC Name5,5-dimethyl-1-[(3-methyl-4-pyridinyl)methyl]-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidine-2,4-dione
SMILESCc1cnccc1CN1C(=O)N(c2ccc(SC(F)(F)F)cc2)C(=O)C1(C)C
InChIInChI=1S/C19H18F3N3O2S/c1-12-10-23-9-8-13(12)11-24-17(27)25(16(26)18(24,2)3)14-4-6-15(7-5-14)28-19(20,21)22/h4-10H,11H2,1-3H3
InChIKeyAKSPPWNGCFFASW-UHFFFAOYSA-N
XLogP4.75
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.43
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5,5-dimethyl-1-[(3-methyl-4-pyridinyl)methyl]-3-[4-(trifluoromethylsulfanyl)phenyl]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 5,5-dimethyl-1-[(3-methyl-4-pyridinyl)methyl]-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidine-2,4-dione?
The IUPAC name of 5,5-dimethyl-1-[(3-methyl-4-pyridinyl)methyl]-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidine-2,4-dione (CID 10392032) is 5,5-dimethyl-1-[(3-methyl-4-pyridinyl)methyl]-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5,5-dimethyl-1-[(3-methyl-4-pyridinyl)methyl]-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidine-2,4-dione?
The canonical SMILES for 5,5-dimethyl-1-[(3-methyl-4-pyridinyl)methyl]-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidine-2,4-dione is Cc1cnccc1CN1C(=O)N(c2ccc(SC(F)(F)F)cc2)C(=O)C1(C)C.
What is the InChIKey of 5,5-dimethyl-1-[(3-methyl-4-pyridinyl)methyl]-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidine-2,4-dione?
The InChIKey is AKSPPWNGCFFASW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3O2S/c1-12-10-23-9-8-13(12)11-24-17(27)25(16(26)18(24,2)3)14-4-6-15(7-5-14)28-19(20,21)22/h4-10H,11H2,1-3H3.
What are the key properties of 5,5-dimethyl-1-[(3-methyl-4-pyridinyl)methyl]-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidine-2,4-dione?
5,5-dimethyl-1-[(3-methyl-4-pyridinyl)methyl]-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidine-2,4-dione has a molecular weight of 409.43 g/mol, XLogP of 4.75, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-1-[(3-methyl-4-pyridinyl)methyl]-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidine-2,4-dione is sourced from PubChem (CID 10392032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).