3-cyclopropylimidazolidine-2,4-dione;2-(3,4,5-trifluorophenyl)pyridine

C17H14F3N3O2 — CID 143380599

IUPAC3-cyclopropylimidazolidine-2,4-dione;2-(3,4,5-trifluorophenyl)pyridine
SMILESFc1cc(-c2ccccn2)cc(F)c1F.O=C1CNC(=O)N1C1CC1
InChIInChI=1S/C11H6F3N.C6H8N2O2/c12-8-5-7(6-9(13)11(8)14)10-3-1-2-4-15-10;9-5-3-7-6(10)8(5)4-1-2-4/h1-6H;4H,1-3H2,(H,7,10)
InChIKeyFDHBGAKIIQZTAE-UHFFFAOYSA-N
MW349.31 g/mol
LogP2.87
Rot. Bonds2

About 3-cyclopropylimidazolidine-2,4-dione;2-(3,4,5-trifluorophenyl)pyridine

3-cyclopropylimidazolidine-2,4-dione;2-(3,4,5-trifluorophenyl)pyridine (PubChem CID 143380599) has the molecular formula C17H14F3N3O2 and a molecular weight of 349.31 g/mol. Its IUPAC name is 3-cyclopropylimidazolidine-2,4-dione;2-(3,4,5-trifluorophenyl)pyridine.

Molecular Properties

Compound Name3-cyclopropylimidazolidine-2,4-dione;2-(3,4,5-trifluorophenyl)pyridine
PubChem CID143380599
Molecular FormulaC17H14F3N3O2
Molecular Weight349.31 g/mol
Exact Mass349.10
IUPAC Name3-cyclopropylimidazolidine-2,4-dione;2-(3,4,5-trifluorophenyl)pyridine
SMILESFc1cc(-c2ccccn2)cc(F)c1F.O=C1CNC(=O)N1C1CC1
InChIInChI=1S/C11H6F3N.C6H8N2O2/c12-8-5-7(6-9(13)11(8)14)10-3-1-2-4-15-10;9-5-3-7-6(10)8(5)4-1-2-4/h1-6H;4H,1-3H2,(H,7,10)
InChIKeyFDHBGAKIIQZTAE-UHFFFAOYSA-N
XLogP2.87
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.31
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

3-[(1S,2R)-2-[6-(3,4,5-trifluorophenyl)-3-pyridinyl]cyclopropyl]imidazolidine-2,4-dione
CID 59759849
3-[2-[6-(3,4,5-trifluorophenyl)-3-pyridinyl]cyclopropyl]imidazolidine-2,4-dione
CID 68824064
2,6-difluoro-4-pyridin-2-ylbenzoic acid
CID 176582239
4-fluoro-6-pyridin-2-yl-2,3-dihydro-1H-indene-2-carboxylic acid
CID 170593233
3-(4-fluoro-3-oxo-6-pyridin-2-yl-1H-isoindol-2-yl)piperidine-2,6-dione
CID 171545904
3-[1-(2,5-difluorophenyl)sulfonylpiperidin-4-yl]imidazolidine-2,4-dione
CID 121160518
3-[1-(3-pyridin-2-yloxybenzoyl)azetidin-3-yl]imidazolidine-2,4-dione
CID 121017262
2-prop-2-ynoxy-7-pyridin-2-yl-8-(3,4,5-trifluorophenyl)-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one
CID 171806898
2-[4-[4-[4-(4-fluorophenyl)phenyl]phenyl]phenyl]pyridine
CID 171056601
6,7-difluoro-1-[1-[5-pyridin-2-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]piperidin-4-yl]-3H-indol-2-one
CID 149272845
3-[1-(3-methyl-2-pyridinyl)pyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121184009
1-(3,5-dipyridin-2-ylphenyl)pyrrolidin-2-one
CID 172517347

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropylimidazolidine-2,4-dione;2-(3,4,5-trifluorophenyl)pyridine?
The IUPAC name of 3-cyclopropylimidazolidine-2,4-dione;2-(3,4,5-trifluorophenyl)pyridine (CID 143380599) is 3-cyclopropylimidazolidine-2,4-dione;2-(3,4,5-trifluorophenyl)pyridine.
What is the SMILES notation for 3-cyclopropylimidazolidine-2,4-dione;2-(3,4,5-trifluorophenyl)pyridine?
The canonical SMILES for 3-cyclopropylimidazolidine-2,4-dione;2-(3,4,5-trifluorophenyl)pyridine is Fc1cc(-c2ccccn2)cc(F)c1F.O=C1CNC(=O)N1C1CC1.
What is the InChIKey of 3-cyclopropylimidazolidine-2,4-dione;2-(3,4,5-trifluorophenyl)pyridine?
The InChIKey is FDHBGAKIIQZTAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F3N.C6H8N2O2/c12-8-5-7(6-9(13)11(8)14)10-3-1-2-4-15-10;9-5-3-7-6(10)8(5)4-1-2-4/h1-6H;4H,1-3H2,(H,7,10).
What are the key properties of 3-cyclopropylimidazolidine-2,4-dione;2-(3,4,5-trifluorophenyl)pyridine?
3-cyclopropylimidazolidine-2,4-dione;2-(3,4,5-trifluorophenyl)pyridine has a molecular weight of 349.31 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropylimidazolidine-2,4-dione;2-(3,4,5-trifluorophenyl)pyridine is sourced from PubChem (CID 143380599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).