(5S)-3-[(3-fluorophenyl)methyl]-5-(methoxymethyl)-5-methylimidazolidine-2,4-dione

C13H15FN2O3 — CID 95158297

IUPAC(5S)-3-[(3-fluorophenyl)methyl]-5-(methoxymethyl)-5-methylimidazolidine-2,4-dione
SMILESCOC[C@]1(C)NC(=O)N(Cc2cccc(F)c2)C1=O
InChIInChI=1S/C13H15FN2O3/c1-13(8-19-2)11(17)16(12(18)15-13)7-9-4-3-5-10(14)6-9/h3-6H,7-8H2,1-2H3,(H,15,18)/t13-/m0/s1
InChIKeyKLGSOGRWSCDJLL-ZDUSSCGKSA-N
MW266.27 g/mol
LogP1.28
Rot. Bonds4

About (5S)-3-[(3-fluorophenyl)methyl]-5-(methoxymethyl)-5-methylimidazolidine-2,4-dione

(5S)-3-[(3-fluorophenyl)methyl]-5-(methoxymethyl)-5-methylimidazolidine-2,4-dione (PubChem CID 95158297) has the molecular formula C13H15FN2O3 and a molecular weight of 266.27 g/mol. Its IUPAC name is (5S)-3-[(3-fluorophenyl)methyl]-5-(methoxymethyl)-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-3-[(3-fluorophenyl)methyl]-5-(methoxymethyl)-5-methylimidazolidine-2,4-dione
PubChem CID95158297
Molecular FormulaC13H15FN2O3
Molecular Weight266.27 g/mol
Exact Mass266.11
IUPAC Name(5S)-3-[(3-fluorophenyl)methyl]-5-(methoxymethyl)-5-methylimidazolidine-2,4-dione
SMILESCOC[C@]1(C)NC(=O)N(Cc2cccc(F)c2)C1=O
InChIInChI=1S/C13H15FN2O3/c1-13(8-19-2)11(17)16(12(18)15-13)7-9-4-3-5-10(14)6-9/h3-6H,7-8H2,1-2H3,(H,15,18)/t13-/m0/s1
InChIKeyKLGSOGRWSCDJLL-ZDUSSCGKSA-N
XLogP1.28
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5S)-3-[(2-bromo-5-fluorophenyl)methyl]-5-(methoxymethyl)-5-methylimidazolidine-2,4-dione
CID 95333198
(5S)-3-[(3-fluorophenyl)methyl]-5-methyl-5-propan-2-ylimidazolidine-2,4-dione
CID 94191065
(5R)-5-(methoxymethyl)-3-[(3-methoxy-4-methylsulfanylphenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 95247869
(5R)-3-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-(methoxymethyl)-5-methylimidazolidine-2,4-dione
CID 95307087
5-(methoxymethyl)-5-methyl-3-[2-[3-(trifluoromethoxy)phenyl]ethyl]imidazolidine-2,4-dione
CID 75448186
(5R)-5-(methoxymethyl)-5-methyl-3-[2-[3-(trifluoromethoxy)phenyl]ethyl]imidazolidine-2,4-dione
CID 97340103
3-[(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)methyl]benzonitrile
CID 24693226
3-ethyl-5-(methoxymethyl)-5-methylimidazolidine-2,4-dione
CID 127013226
3-[1-[(3-fluorophenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzonitrile
CID 51106033
(5S)-3-[(3-fluorophenyl)methyl]-5-phenyl-5-propylimidazolidine-2,4-dione
CID 7986927
(5S)-3-[(4-fluorophenyl)methyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 7170894
2-[[(4R)-4-(methoxymethyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzonitrile
CID 94819428

Frequently Asked Questions

What is the IUPAC name of (5S)-3-[(3-fluorophenyl)methyl]-5-(methoxymethyl)-5-methylimidazolidine-2,4-dione?
The IUPAC name of (5S)-3-[(3-fluorophenyl)methyl]-5-(methoxymethyl)-5-methylimidazolidine-2,4-dione (CID 95158297) is (5S)-3-[(3-fluorophenyl)methyl]-5-(methoxymethyl)-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-3-[(3-fluorophenyl)methyl]-5-(methoxymethyl)-5-methylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-3-[(3-fluorophenyl)methyl]-5-(methoxymethyl)-5-methylimidazolidine-2,4-dione is COC[C@]1(C)NC(=O)N(Cc2cccc(F)c2)C1=O.
What is the InChIKey of (5S)-3-[(3-fluorophenyl)methyl]-5-(methoxymethyl)-5-methylimidazolidine-2,4-dione?
The InChIKey is KLGSOGRWSCDJLL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H15FN2O3/c1-13(8-19-2)11(17)16(12(18)15-13)7-9-4-3-5-10(14)6-9/h3-6H,7-8H2,1-2H3,(H,15,18)/t13-/m0/s1.
What are the key properties of (5S)-3-[(3-fluorophenyl)methyl]-5-(methoxymethyl)-5-methylimidazolidine-2,4-dione?
(5S)-3-[(3-fluorophenyl)methyl]-5-(methoxymethyl)-5-methylimidazolidine-2,4-dione has a molecular weight of 266.27 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-[(3-fluorophenyl)methyl]-5-(methoxymethyl)-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 95158297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).