1-[4-[[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]-3-methylurea

C20H20F3N5O5S — CID 24739876

IUPAC1-[4-[[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]-3-methylurea
SMILESCNC(=O)Nc1cc(CN2C(=O)N(c3ccc(S(=O)(=O)C(F)(F)F)cc3)C(=O)C2(C)C)ccn1
InChIInChI=1S/C20H20F3N5O5S/c1-19(2)16(29)28(13-4-6-14(7-5-13)34(32,33)20(21,22)23)18(31)27(19)11-12-8-9-25-15(10-12)26-17(30)24-3/h4-10H,11H2,1-3H3,(H2,24,25,26,30)
InChIKeyPUJDYOVONHPYOA-UHFFFAOYSA-N
MW499.47 g/mol
LogP2.87
Rot. Bonds5

About 1-[4-[[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]-3-methylurea

1-[4-[[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]-3-methylurea (PubChem CID 24739876) has the molecular formula C20H20F3N5O5S and a molecular weight of 499.47 g/mol. Its IUPAC name is 1-[4-[[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]-3-methylurea.

Molecular Properties

Compound Name1-[4-[[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]-3-methylurea
PubChem CID24739876
Molecular FormulaC20H20F3N5O5S
Molecular Weight499.47 g/mol
Exact Mass499.11
IUPAC Name1-[4-[[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]-3-methylurea
SMILESCNC(=O)Nc1cc(CN2C(=O)N(c3ccc(S(=O)(=O)C(F)(F)F)cc3)C(=O)C2(C)C)ccn1
InChIInChI=1S/C20H20F3N5O5S/c1-19(2)16(29)28(13-4-6-14(7-5-13)34(32,33)20(21,22)23)18(31)27(19)11-12-8-9-25-15(10-12)26-17(30)24-3/h4-10H,11H2,1-3H3,(H2,24,25,26,30)
InChIKeyPUJDYOVONHPYOA-UHFFFAOYSA-N
XLogP2.87
TPSA128.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.47
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-[4-[[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]-3-methylurea 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 1-[4-[[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]-3-methylurea?
The IUPAC name of 1-[4-[[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]-3-methylurea (CID 24739876) is 1-[4-[[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]-3-methylurea.
What is the SMILES notation for 1-[4-[[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]-3-methylurea?
The canonical SMILES for 1-[4-[[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]-3-methylurea is CNC(=O)Nc1cc(CN2C(=O)N(c3ccc(S(=O)(=O)C(F)(F)F)cc3)C(=O)C2(C)C)ccn1.
What is the InChIKey of 1-[4-[[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]-3-methylurea?
The InChIKey is PUJDYOVONHPYOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N5O5S/c1-19(2)16(29)28(13-4-6-14(7-5-13)34(32,33)20(21,22)23)18(31)27(19)11-12-8-9-25-15(10-12)26-17(30)24-3/h4-10H,11H2,1-3H3,(H2,24,25,26,30).
What are the key properties of 1-[4-[[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]-3-methylurea?
1-[4-[[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]-3-methylurea has a molecular weight of 499.47 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]-3-methylurea is sourced from PubChem (CID 24739876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).