1-[(3-fluorophenyl)methyl]-3-[(1R)-1-phenylethyl]imidazolidine-2,4,5-trione

C18H15FN2O3 — CID 34627599

IUPAC1-[(3-fluorophenyl)methyl]-3-[(1R)-1-phenylethyl]imidazolidine-2,4,5-trione
SMILESC[C@H](c1ccccc1)N1C(=O)C(=O)N(Cc2cccc(F)c2)C1=O
InChIInChI=1S/C18H15FN2O3/c1-12(14-7-3-2-4-8-14)21-17(23)16(22)20(18(21)24)11-13-6-5-9-15(19)10-13/h2-10,12H,11H2,1H3/t12-/m1/s1
InChIKeyKEMJRMAVFPVKIJ-GFCCVEGCSA-N
MW326.33 g/mol
LogP2.88
Rot. Bonds4

About 1-[(3-fluorophenyl)methyl]-3-[(1R)-1-phenylethyl]imidazolidine-2,4,5-trione

1-[(3-fluorophenyl)methyl]-3-[(1R)-1-phenylethyl]imidazolidine-2,4,5-trione (PubChem CID 34627599) has the molecular formula C18H15FN2O3 and a molecular weight of 326.33 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-3-[(1R)-1-phenylethyl]imidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]-3-[(1R)-1-phenylethyl]imidazolidine-2,4,5-trione
PubChem CID34627599
Molecular FormulaC18H15FN2O3
Molecular Weight326.33 g/mol
Exact Mass326.11
IUPAC Name1-[(3-fluorophenyl)methyl]-3-[(1R)-1-phenylethyl]imidazolidine-2,4,5-trione
SMILESC[C@H](c1ccccc1)N1C(=O)C(=O)N(Cc2cccc(F)c2)C1=O
InChIInChI=1S/C18H15FN2O3/c1-12(14-7-3-2-4-8-14)21-17(23)16(22)20(18(21)24)11-13-6-5-9-15(19)10-13/h2-10,12H,11H2,1H3/t12-/m1/s1
InChIKeyKEMJRMAVFPVKIJ-GFCCVEGCSA-N
XLogP2.88
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.33
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]-3-[(1R)-1-phenylethyl]imidazolidine-2,4,5-trione?
The IUPAC name of 1-[(3-fluorophenyl)methyl]-3-[(1R)-1-phenylethyl]imidazolidine-2,4,5-trione (CID 34627599) is 1-[(3-fluorophenyl)methyl]-3-[(1R)-1-phenylethyl]imidazolidine-2,4,5-trione.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-3-[(1R)-1-phenylethyl]imidazolidine-2,4,5-trione?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]-3-[(1R)-1-phenylethyl]imidazolidine-2,4,5-trione is C[C@H](c1ccccc1)N1C(=O)C(=O)N(Cc2cccc(F)c2)C1=O.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]-3-[(1R)-1-phenylethyl]imidazolidine-2,4,5-trione?
The InChIKey is KEMJRMAVFPVKIJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H15FN2O3/c1-12(14-7-3-2-4-8-14)21-17(23)16(22)20(18(21)24)11-13-6-5-9-15(19)10-13/h2-10,12H,11H2,1H3/t12-/m1/s1.
What are the key properties of 1-[(3-fluorophenyl)methyl]-3-[(1R)-1-phenylethyl]imidazolidine-2,4,5-trione?
1-[(3-fluorophenyl)methyl]-3-[(1R)-1-phenylethyl]imidazolidine-2,4,5-trione has a molecular weight of 326.33 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]-3-[(1R)-1-phenylethyl]imidazolidine-2,4,5-trione is sourced from PubChem (CID 34627599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).