5-phenyl-3-(pyridin-3-ylmethyl)-5-(trifluoromethyl)imidazolidine-2,4-dione

C16H12F3N3O2 — CID 2968088

IUPAC5-phenyl-3-(pyridin-3-ylmethyl)-5-(trifluoromethyl)imidazolidine-2,4-dione
SMILESO=C1NC(c2ccccc2)(C(F)(F)F)C(=O)N1Cc1cccnc1
InChIInChI=1S/C16H12F3N3O2/c17-16(18,19)15(12-6-2-1-3-7-12)13(23)22(14(24)21-15)10-11-5-4-8-20-9-11/h1-9H,10H2,(H,21,24)
InChIKeyWPSWMLZBXDOMJU-UHFFFAOYSA-N
MW335.28 g/mol
LogP2.59
Rot. Bonds3

About 5-phenyl-3-(pyridin-3-ylmethyl)-5-(trifluoromethyl)imidazolidine-2,4-dione

5-phenyl-3-(pyridin-3-ylmethyl)-5-(trifluoromethyl)imidazolidine-2,4-dione (PubChem CID 2968088) has the molecular formula C16H12F3N3O2 and a molecular weight of 335.28 g/mol. Its IUPAC name is 5-phenyl-3-(pyridin-3-ylmethyl)-5-(trifluoromethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-phenyl-3-(pyridin-3-ylmethyl)-5-(trifluoromethyl)imidazolidine-2,4-dione
PubChem CID2968088
Molecular FormulaC16H12F3N3O2
Molecular Weight335.28 g/mol
Exact Mass335.09
IUPAC Name5-phenyl-3-(pyridin-3-ylmethyl)-5-(trifluoromethyl)imidazolidine-2,4-dione
SMILESO=C1NC(c2ccccc2)(C(F)(F)F)C(=O)N1Cc1cccnc1
InChIInChI=1S/C16H12F3N3O2/c17-16(18,19)15(12-6-2-1-3-7-12)13(23)22(14(24)21-15)10-11-5-4-8-20-9-11/h1-9H,10H2,(H,21,24)
InChIKeyWPSWMLZBXDOMJU-UHFFFAOYSA-N
XLogP2.59
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.28
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(R)-5-((6-fluoro-1-oxoisoindolin-2-yl)methyl)-5-(4-(pyridin-3-yl)phenyl)imidazolidine-2,4-dione
CID 49865166
(1S,2S)-1-(dimethylcarbamoyl)-3-[(3S)-3-fluoropyrrolidin-1-yl]-3-oxo-1-[4-(pyridin-3-yl)phenyl]propan-2-aminium; 2,2,2-trifluoroacetate
CID 91895787
(1S,2S)-1-(dimethylcarbamoyl)-3-[(3S)-3-fluoropyrrolidin-1-yl]-3-oxo-1-[4-(pyridin-4-yl)phenyl]propan-2-aminium; 2,2,2-trifluoroacetate
CID 91895788
(2S,3S)-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxo-3-[4-(pyridin-3-yl)phenyl]butan-2-aminium; 2,2,2-trifluoroacetate
CID 91895814
(2S,3S)-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxo-3-[4-(pyridin-4-yl)phenyl]butan-2-aminium; 2,2,2-trifluoroacetate
CID 91895815
N-(4-fluorobenzyl)-3-phenyl-2-(1H-pyrrol-1-yl)propanamide
CID 16194064
2-chloro-N-(2,5-dioxo-1-(pyridin-3-ylmethyl)-4-(trifluoromethyl)imidazolidin-4-yl)benzamide
CID 3598053
N-[2,5-dioxo-1-(pyridin-3-ylmethyl)-4-(trifluoromethyl)imidazolidin-4-yl]-4-fluorobenzamide
CID 4325939
(2S,3S)-2-amino-1-(3,3-difluoropyrrolidin-1-yl)-3-(4-(pyridin-3-yl)cyclohexyl)butan-1-one
CID 11674721
N-[(3S,4R)-4-[6-(1,1-difluoroethyl)-3-pyridinyl]pyrrolidin-3-yl]-2-[4-(dimethylamino)phenyl]acetamide
CID 146643591
US10285989, Example 160
CID 145996230
5-Methyl-5-(4-pyridyl)hydantoin
CID 222702

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-3-(pyridin-3-ylmethyl)-5-(trifluoromethyl)imidazolidine-2,4-dione?
The IUPAC name of 5-phenyl-3-(pyridin-3-ylmethyl)-5-(trifluoromethyl)imidazolidine-2,4-dione (CID 2968088) is 5-phenyl-3-(pyridin-3-ylmethyl)-5-(trifluoromethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-phenyl-3-(pyridin-3-ylmethyl)-5-(trifluoromethyl)imidazolidine-2,4-dione?
The canonical SMILES for 5-phenyl-3-(pyridin-3-ylmethyl)-5-(trifluoromethyl)imidazolidine-2,4-dione is O=C1NC(c2ccccc2)(C(F)(F)F)C(=O)N1Cc1cccnc1.
What is the InChIKey of 5-phenyl-3-(pyridin-3-ylmethyl)-5-(trifluoromethyl)imidazolidine-2,4-dione?
The InChIKey is WPSWMLZBXDOMJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3O2/c17-16(18,19)15(12-6-2-1-3-7-12)13(23)22(14(24)21-15)10-11-5-4-8-20-9-11/h1-9H,10H2,(H,21,24).
What are the key properties of 5-phenyl-3-(pyridin-3-ylmethyl)-5-(trifluoromethyl)imidazolidine-2,4-dione?
5-phenyl-3-(pyridin-3-ylmethyl)-5-(trifluoromethyl)imidazolidine-2,4-dione has a molecular weight of 335.28 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-3-(pyridin-3-ylmethyl)-5-(trifluoromethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 2968088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).