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

C23H20FN3O3 — CID 71585661

IUPAC5-[4-[(4-fluorophenyl)methyl]phenyl]-5-[(3-methyl-2-oxo-1-pyridinyl)methyl]imidazolidine-2,4-dione
SMILESCc1cccn(CC2(c3ccc(Cc4ccc(F)cc4)cc3)NC(=O)NC2=O)c1=O
InChIInChI=1S/C23H20FN3O3/c1-15-3-2-12-27(20(15)28)14-23(21(29)25-22(30)26-23)18-8-4-16(5-9-18)13-17-6-10-19(24)11-7-17/h2-12H,13-14H2,1H3,(H2,25,26,29,30)
InChIKeyYDQXVWQJXLASOP-UHFFFAOYSA-N
MW405.43 g/mol
LogP2.62
Rot. Bonds5

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

5-[4-[(4-fluorophenyl)methyl]phenyl]-5-[(3-methyl-2-oxo-1-pyridinyl)methyl]imidazolidine-2,4-dione (PubChem CID 71585661) has the molecular formula C23H20FN3O3 and a molecular weight of 405.43 g/mol. Its IUPAC name is 5-[4-[(4-fluorophenyl)methyl]phenyl]-5-[(3-methyl-2-oxo-1-pyridinyl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[4-[(4-fluorophenyl)methyl]phenyl]-5-[(3-methyl-2-oxo-1-pyridinyl)methyl]imidazolidine-2,4-dione
PubChem CID71585661
Molecular FormulaC23H20FN3O3
Molecular Weight405.43 g/mol
Exact Mass405.15
IUPAC Name5-[4-[(4-fluorophenyl)methyl]phenyl]-5-[(3-methyl-2-oxo-1-pyridinyl)methyl]imidazolidine-2,4-dione
SMILESCc1cccn(CC2(c3ccc(Cc4ccc(F)cc4)cc3)NC(=O)NC2=O)c1=O
InChIInChI=1S/C23H20FN3O3/c1-15-3-2-12-27(20(15)28)14-23(21(29)25-22(30)26-23)18-8-4-16(5-9-18)13-17-6-10-19(24)11-7-17/h2-12H,13-14H2,1H3,(H2,25,26,29,30)
InChIKeyYDQXVWQJXLASOP-UHFFFAOYSA-N
XLogP2.62
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.43
LogP ≤ 52.62
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-[4-[(4-fluorophenyl)methyl]phenyl]-5-[(3-methyl-2-oxo-1-pyridinyl)methyl]imidazolidine-2,4-dione?
The IUPAC name of 5-[4-[(4-fluorophenyl)methyl]phenyl]-5-[(3-methyl-2-oxo-1-pyridinyl)methyl]imidazolidine-2,4-dione (CID 71585661) is 5-[4-[(4-fluorophenyl)methyl]phenyl]-5-[(3-methyl-2-oxo-1-pyridinyl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-[4-[(4-fluorophenyl)methyl]phenyl]-5-[(3-methyl-2-oxo-1-pyridinyl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-[4-[(4-fluorophenyl)methyl]phenyl]-5-[(3-methyl-2-oxo-1-pyridinyl)methyl]imidazolidine-2,4-dione is Cc1cccn(CC2(c3ccc(Cc4ccc(F)cc4)cc3)NC(=O)NC2=O)c1=O.
What is the InChIKey of 5-[4-[(4-fluorophenyl)methyl]phenyl]-5-[(3-methyl-2-oxo-1-pyridinyl)methyl]imidazolidine-2,4-dione?
The InChIKey is YDQXVWQJXLASOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O3/c1-15-3-2-12-27(20(15)28)14-23(21(29)25-22(30)26-23)18-8-4-16(5-9-18)13-17-6-10-19(24)11-7-17/h2-12H,13-14H2,1H3,(H2,25,26,29,30).
What are the key properties of 5-[4-[(4-fluorophenyl)methyl]phenyl]-5-[(3-methyl-2-oxo-1-pyridinyl)methyl]imidazolidine-2,4-dione?
5-[4-[(4-fluorophenyl)methyl]phenyl]-5-[(3-methyl-2-oxo-1-pyridinyl)methyl]imidazolidine-2,4-dione has a molecular weight of 405.43 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(4-fluorophenyl)methyl]phenyl]-5-[(3-methyl-2-oxo-1-pyridinyl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 71585661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).