5-(2,4-difluorophenyl)-5-[(3-methyl-2-oxo-1-pyridinyl)methyl]imidazolidine-2,4-dione

C16H13F2N3O3 — CID 71585757

IUPAC5-(2,4-difluorophenyl)-5-[(3-methyl-2-oxo-1-pyridinyl)methyl]imidazolidine-2,4-dione
SMILESCc1cccn(CC2(c3ccc(F)cc3F)NC(=O)NC2=O)c1=O
InChIInChI=1S/C16H13F2N3O3/c1-9-3-2-6-21(13(9)22)8-16(14(23)19-15(24)20-16)11-5-4-10(17)7-12(11)18/h2-7H,8H2,1H3,(H2,19,20,23,24)
InChIKeyMSMVDGFEPUUPPE-UHFFFAOYSA-N
MW333.29 g/mol
LogP1.17
Rot. Bonds3

About 5-(2,4-difluorophenyl)-5-[(3-methyl-2-oxo-1-pyridinyl)methyl]imidazolidine-2,4-dione

5-(2,4-difluorophenyl)-5-[(3-methyl-2-oxo-1-pyridinyl)methyl]imidazolidine-2,4-dione (PubChem CID 71585757) has the molecular formula C16H13F2N3O3 and a molecular weight of 333.29 g/mol. Its IUPAC name is 5-(2,4-difluorophenyl)-5-[(3-methyl-2-oxo-1-pyridinyl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(2,4-difluorophenyl)-5-[(3-methyl-2-oxo-1-pyridinyl)methyl]imidazolidine-2,4-dione
PubChem CID71585757
Molecular FormulaC16H13F2N3O3
Molecular Weight333.29 g/mol
Exact Mass333.09
IUPAC Name5-(2,4-difluorophenyl)-5-[(3-methyl-2-oxo-1-pyridinyl)methyl]imidazolidine-2,4-dione
SMILESCc1cccn(CC2(c3ccc(F)cc3F)NC(=O)NC2=O)c1=O
InChIInChI=1S/C16H13F2N3O3/c1-9-3-2-6-21(13(9)22)8-16(14(23)19-15(24)20-16)11-5-4-10(17)7-12(11)18/h2-7H,8H2,1H3,(H2,19,20,23,24)
InChIKeyMSMVDGFEPUUPPE-UHFFFAOYSA-N
XLogP1.17
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.29
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2,4-difluorophenyl)-5-[(3-methyl-2-oxo-1-pyridinyl)methyl]imidazolidine-2,4-dione?
The IUPAC name of 5-(2,4-difluorophenyl)-5-[(3-methyl-2-oxo-1-pyridinyl)methyl]imidazolidine-2,4-dione (CID 71585757) is 5-(2,4-difluorophenyl)-5-[(3-methyl-2-oxo-1-pyridinyl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-(2,4-difluorophenyl)-5-[(3-methyl-2-oxo-1-pyridinyl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-(2,4-difluorophenyl)-5-[(3-methyl-2-oxo-1-pyridinyl)methyl]imidazolidine-2,4-dione is Cc1cccn(CC2(c3ccc(F)cc3F)NC(=O)NC2=O)c1=O.
What is the InChIKey of 5-(2,4-difluorophenyl)-5-[(3-methyl-2-oxo-1-pyridinyl)methyl]imidazolidine-2,4-dione?
The InChIKey is MSMVDGFEPUUPPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2N3O3/c1-9-3-2-6-21(13(9)22)8-16(14(23)19-15(24)20-16)11-5-4-10(17)7-12(11)18/h2-7H,8H2,1H3,(H2,19,20,23,24).
What are the key properties of 5-(2,4-difluorophenyl)-5-[(3-methyl-2-oxo-1-pyridinyl)methyl]imidazolidine-2,4-dione?
5-(2,4-difluorophenyl)-5-[(3-methyl-2-oxo-1-pyridinyl)methyl]imidazolidine-2,4-dione has a molecular weight of 333.29 g/mol, XLogP of 1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-difluorophenyl)-5-[(3-methyl-2-oxo-1-pyridinyl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 71585757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).