(5S)-5-(2-fluorophenyl)-5-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione

C16H18FN3O3 — CID 94797964

IUPAC(5S)-5-(2-fluorophenyl)-5-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione
SMILESC[C@@]1(c2ccccc2F)NC(=O)N(CC(=O)N2CCCC2)C1=O
InChIInChI=1S/C16H18FN3O3/c1-16(11-6-2-3-7-12(11)17)14(22)20(15(23)18-16)10-13(21)19-8-4-5-9-19/h2-3,6-7H,4-5,8-10H2,1H3,(H,18,23)/t16-/m0/s1
InChIKeyITKBOLLQRZYTRV-INIZCTEOSA-N
MW319.34 g/mol
LogP1.22
Rot. Bonds3

About (5S)-5-(2-fluorophenyl)-5-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione

(5S)-5-(2-fluorophenyl)-5-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione (PubChem CID 94797964) has the molecular formula C16H18FN3O3 and a molecular weight of 319.34 g/mol. Its IUPAC name is (5S)-5-(2-fluorophenyl)-5-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-(2-fluorophenyl)-5-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione
PubChem CID94797964
Molecular FormulaC16H18FN3O3
Molecular Weight319.34 g/mol
Exact Mass319.13
IUPAC Name(5S)-5-(2-fluorophenyl)-5-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione
SMILESC[C@@]1(c2ccccc2F)NC(=O)N(CC(=O)N2CCCC2)C1=O
InChIInChI=1S/C16H18FN3O3/c1-16(11-6-2-3-7-12(11)17)14(22)20(15(23)18-16)10-13(21)19-8-4-5-9-19/h2-3,6-7H,4-5,8-10H2,1H3,(H,18,23)/t16-/m0/s1
InChIKeyITKBOLLQRZYTRV-INIZCTEOSA-N
XLogP1.22
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 51.22
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)-5-(2-chlorophenyl)-5-methyl-3-(2-oxo-2-piperidin-1-ylethyl)imidazolidine-2,4-dione
CID 2702291
5-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-5-phenylimidazolidine-2,4-dione
CID 3874337
(5S)-5-(2-fluorophenyl)-5-methyl-3-[2-[(2R)-2-methylmorpholin-4-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 95151894
(5S)-3-[2-[(2S)-2-ethylmorpholin-4-yl]-2-oxoethyl]-5-(2-fluorophenyl)-5-methylimidazolidine-2,4-dione
CID 52508667
(5S)-5-(2-fluorophenyl)-5-methyl-3-phenacylimidazolidine-2,4-dione
CID 94815323
3-[2-(azetidin-1-yl)-2-oxoethyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione
CID 51334274
(5S)-3-[2-(azepan-1-yl)-2-oxoethyl]-5-(2,4-dichlorophenyl)-5-methylimidazolidine-2,4-dione
CID 2703018
3-[2-(azepan-1-yl)-2-oxoethyl]-5-(2,4-dichlorophenyl)-5-methylimidazolidine-2,4-dione
CID 4804699
(5R)-5-(2-chlorophenyl)-5-methyl-3-(2-morpholin-4-yl-2-oxoethyl)imidazolidine-2,4-dione
CID 2702196
N-cyclopropyl-2-[4-(2-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide
CID 47082477
N-cyclohexyl-2-[(4S)-4-(2-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 94815011
3-[2-(azocan-1-yl)-2-oxoethyl]-5-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione
CID 51215204

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(2-fluorophenyl)-5-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-(2-fluorophenyl)-5-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione (CID 94797964) is (5S)-5-(2-fluorophenyl)-5-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-(2-fluorophenyl)-5-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-(2-fluorophenyl)-5-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione is C[C@@]1(c2ccccc2F)NC(=O)N(CC(=O)N2CCCC2)C1=O.
What is the InChIKey of (5S)-5-(2-fluorophenyl)-5-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione?
The InChIKey is ITKBOLLQRZYTRV-INIZCTEOSA-N. The full InChI is InChI=1S/C16H18FN3O3/c1-16(11-6-2-3-7-12(11)17)14(22)20(15(23)18-16)10-13(21)19-8-4-5-9-19/h2-3,6-7H,4-5,8-10H2,1H3,(H,18,23)/t16-/m0/s1.
What are the key properties of (5S)-5-(2-fluorophenyl)-5-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione?
(5S)-5-(2-fluorophenyl)-5-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione has a molecular weight of 319.34 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(2-fluorophenyl)-5-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 94797964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).