1-(4-methylphenyl)-3-[[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]imidazolidine-2,4,5-trione

C19H19N3O3S — CID 9244879

IUPAC1-(4-methylphenyl)-3-[[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]imidazolidine-2,4,5-trione
SMILESCc1ccc(N2C(=O)C(=O)N(CN3CCC[C@H]3c3cccs3)C2=O)cc1
InChIInChI=1S/C19H19N3O3S/c1-13-6-8-14(9-7-13)22-18(24)17(23)21(19(22)25)12-20-10-2-4-15(20)16-5-3-11-26-16/h3,5-9,11,15H,2,4,10,12H2,1H3/t15-/m0/s1
InChIKeyZKWFXGAUSKGYLW-HNNXBMFYSA-N
MW369.45 g/mol
LogP3.15
Rot. Bonds4

About 1-(4-methylphenyl)-3-[[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]imidazolidine-2,4,5-trione

1-(4-methylphenyl)-3-[[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]imidazolidine-2,4,5-trione (PubChem CID 9244879) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is 1-(4-methylphenyl)-3-[[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]imidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-(4-methylphenyl)-3-[[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]imidazolidine-2,4,5-trione
PubChem CID9244879
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC Name1-(4-methylphenyl)-3-[[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]imidazolidine-2,4,5-trione
SMILESCc1ccc(N2C(=O)C(=O)N(CN3CCC[C@H]3c3cccs3)C2=O)cc1
InChIInChI=1S/C19H19N3O3S/c1-13-6-8-14(9-7-13)22-18(24)17(23)21(19(22)25)12-20-10-2-4-15(20)16-5-3-11-26-16/h3,5-9,11,15H,2,4,10,12H2,1H3/t15-/m0/s1
InChIKeyZKWFXGAUSKGYLW-HNNXBMFYSA-N
XLogP3.15
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-propyl-3-[(2-thiophen-2-ylpyrrolidin-1-yl)methyl]imidazolidine-2,4,5-trione
CID 18093199
1-(2-methylpropyl)-3-[(2-thiophen-2-ylpyrrolidin-1-yl)methyl]imidazolidine-2,4,5-trione
CID 18170819
1-(2-ethoxyphenyl)-3-[(2-thiophen-2-ylpyrrolidin-1-yl)methyl]imidazolidine-2,4,5-trione
CID 17475899
N-(4-methylphenyl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide
CID 9446431
8-tert-butyl-3-[(2-thiophen-2-ylpyrrolidin-1-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 18170818
N-(2-bromo-4-methylphenyl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide
CID 9446623
1-(2-methylpropyl)-2-thiophen-2-ylpyrrolidine
CID 102544356
1-butyl-2-thiophen-2-ylpyrrolidine
CID 102544357
N,N,3,5-tetramethyl-1-[[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]pyrazole-4-sulfonamide
CID 9244835
7-methyl-4-[(2-thiophen-2-ylpyrrolidin-1-yl)methyl]chromen-2-one
CID 42914452
N-(2,6-dimethylphenyl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide
CID 9446407
5,5-dimethyl-3-[2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione
CID 35429886

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-3-[[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]imidazolidine-2,4,5-trione?
The IUPAC name of 1-(4-methylphenyl)-3-[[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]imidazolidine-2,4,5-trione (CID 9244879) is 1-(4-methylphenyl)-3-[[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]imidazolidine-2,4,5-trione.
What is the SMILES notation for 1-(4-methylphenyl)-3-[[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]imidazolidine-2,4,5-trione?
The canonical SMILES for 1-(4-methylphenyl)-3-[[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]imidazolidine-2,4,5-trione is Cc1ccc(N2C(=O)C(=O)N(CN3CCC[C@H]3c3cccs3)C2=O)cc1.
What is the InChIKey of 1-(4-methylphenyl)-3-[[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]imidazolidine-2,4,5-trione?
The InChIKey is ZKWFXGAUSKGYLW-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H19N3O3S/c1-13-6-8-14(9-7-13)22-18(24)17(23)21(19(22)25)12-20-10-2-4-15(20)16-5-3-11-26-16/h3,5-9,11,15H,2,4,10,12H2,1H3/t15-/m0/s1.
What are the key properties of 1-(4-methylphenyl)-3-[[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]imidazolidine-2,4,5-trione?
1-(4-methylphenyl)-3-[[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]imidazolidine-2,4,5-trione has a molecular weight of 369.45 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-3-[[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]imidazolidine-2,4,5-trione is sourced from PubChem (CID 9244879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).