(5S)-3-benzyl-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione

C15H14N2O2S — CID 51592541

IUPAC(5S)-3-benzyl-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione
SMILESC[C@]1(c2cccs2)NC(=O)N(Cc2ccccc2)C1=O
InChIInChI=1S/C15H14N2O2S/c1-15(12-8-5-9-20-12)13(18)17(14(19)16-15)10-11-6-3-2-4-7-11/h2-9H,10H2,1H3,(H,16,19)/t15-/m1/s1
InChIKeyHYKXCNCDFISQLE-OAHLLOKOSA-N
MW286.36 g/mol
LogP2.72
Rot. Bonds3

About (5S)-3-benzyl-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione

(5S)-3-benzyl-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione (PubChem CID 51592541) has the molecular formula C15H14N2O2S and a molecular weight of 286.36 g/mol. Its IUPAC name is (5S)-3-benzyl-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-3-benzyl-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione
PubChem CID51592541
Molecular FormulaC15H14N2O2S
Molecular Weight286.36 g/mol
Exact Mass286.08
IUPAC Name(5S)-3-benzyl-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione
SMILESC[C@]1(c2cccs2)NC(=O)N(Cc2ccccc2)C1=O
InChIInChI=1S/C15H14N2O2S/c1-15(12-8-5-9-20-12)13(18)17(14(19)16-15)10-11-6-3-2-4-7-11/h2-9H,10H2,1H3,(H,16,19)/t15-/m1/s1
InChIKeyHYKXCNCDFISQLE-OAHLLOKOSA-N
XLogP2.72
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 52.72
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-ethyl-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione
CID 92591093
2-[4-[(4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl)methyl]phenyl]benzonitrile
CID 51333113
(5R)-5-methyl-3-(2-methylpropyl)-5-thiophen-2-ylimidazolidine-2,4-dione
CID 92579088
3-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione
CID 55481018
(5S)-5-methyl-3-(3-methylbutyl)-5-thiophen-2-ylimidazolidine-2,4-dione
CID 95142893
N-(benzylcarbamoyl)-3-(4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl)propanamide
CID 71900241
3-[(4-bromo-2-fluorophenyl)methyl]-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione
CID 51288617
(5S)-3-(3,3-dimethyl-2-oxobutyl)-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione
CID 92582836
N-(2-benzylphenyl)-2-(4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl)acetamide
CID 55480274
(5S)-3-benzyl-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 51463779
N-[(3-chlorophenyl)methyl]-2-(4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl)acetamide
CID 51288559
(5S)-3-[2-(2-fluorophenyl)-2-oxoethyl]-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione
CID 41074060

Frequently Asked Questions

What is the IUPAC name of (5S)-3-benzyl-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione?
The IUPAC name of (5S)-3-benzyl-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione (CID 51592541) is (5S)-3-benzyl-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-3-benzyl-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-3-benzyl-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione is C[C@]1(c2cccs2)NC(=O)N(Cc2ccccc2)C1=O.
What is the InChIKey of (5S)-3-benzyl-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione?
The InChIKey is HYKXCNCDFISQLE-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H14N2O2S/c1-15(12-8-5-9-20-12)13(18)17(14(19)16-15)10-11-6-3-2-4-7-11/h2-9H,10H2,1H3,(H,16,19)/t15-/m1/s1.
What are the key properties of (5S)-3-benzyl-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione?
(5S)-3-benzyl-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione has a molecular weight of 286.36 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-benzyl-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione is sourced from PubChem (CID 51592541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).