(5S)-5-benzyl-3-[(3-fluorophenyl)methyl]imidazolidine-2,4-dione

C17H15FN2O2 — CID 51640261

IUPAC(5S)-5-benzyl-3-[(3-fluorophenyl)methyl]imidazolidine-2,4-dione
SMILESO=C1N[C@@H](Cc2ccccc2)C(=O)N1Cc1cccc(F)c1
InChIInChI=1S/C17H15FN2O2/c18-14-8-4-7-13(9-14)11-20-16(21)15(19-17(20)22)10-12-5-2-1-3-6-12/h1-9,15H,10-11H2,(H,19,22)/t15-/m0/s1
InChIKeyMVLVTFPMAGSYMB-HNNXBMFYSA-N
MW298.32 g/mol
LogP2.49
Rot. Bonds4

About (5S)-5-benzyl-3-[(3-fluorophenyl)methyl]imidazolidine-2,4-dione

(5S)-5-benzyl-3-[(3-fluorophenyl)methyl]imidazolidine-2,4-dione (PubChem CID 51640261) has the molecular formula C17H15FN2O2 and a molecular weight of 298.32 g/mol. Its IUPAC name is (5S)-5-benzyl-3-[(3-fluorophenyl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-benzyl-3-[(3-fluorophenyl)methyl]imidazolidine-2,4-dione
PubChem CID51640261
Molecular FormulaC17H15FN2O2
Molecular Weight298.32 g/mol
Exact Mass298.11
IUPAC Name(5S)-5-benzyl-3-[(3-fluorophenyl)methyl]imidazolidine-2,4-dione
SMILESO=C1N[C@@H](Cc2ccccc2)C(=O)N1Cc1cccc(F)c1
InChIInChI=1S/C17H15FN2O2/c18-14-8-4-7-13(9-14)11-20-16(21)15(19-17(20)22)10-12-5-2-1-3-6-12/h1-9,15H,10-11H2,(H,19,22)/t15-/m0/s1
InChIKeyMVLVTFPMAGSYMB-HNNXBMFYSA-N
XLogP2.49
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-benzyl-3-[(3-fluorophenyl)methyl]imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-benzyl-3-[(3-fluorophenyl)methyl]imidazolidine-2,4-dione (CID 51640261) is (5S)-5-benzyl-3-[(3-fluorophenyl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-benzyl-3-[(3-fluorophenyl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-benzyl-3-[(3-fluorophenyl)methyl]imidazolidine-2,4-dione is O=C1N[C@@H](Cc2ccccc2)C(=O)N1Cc1cccc(F)c1.
What is the InChIKey of (5S)-5-benzyl-3-[(3-fluorophenyl)methyl]imidazolidine-2,4-dione?
The InChIKey is MVLVTFPMAGSYMB-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H15FN2O2/c18-14-8-4-7-13(9-14)11-20-16(21)15(19-17(20)22)10-12-5-2-1-3-6-12/h1-9,15H,10-11H2,(H,19,22)/t15-/m0/s1.
What are the key properties of (5S)-5-benzyl-3-[(3-fluorophenyl)methyl]imidazolidine-2,4-dione?
(5S)-5-benzyl-3-[(3-fluorophenyl)methyl]imidazolidine-2,4-dione has a molecular weight of 298.32 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-benzyl-3-[(3-fluorophenyl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 51640261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).