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

C15H19N3O3S — CID 18093199

IUPAC1-propyl-3-[(2-thiophen-2-ylpyrrolidin-1-yl)methyl]imidazolidine-2,4,5-trione
SMILESCCCN1C(=O)C(=O)N(CN2CCCC2c2cccs2)C1=O
InChIInChI=1S/C15H19N3O3S/c1-2-7-17-13(19)14(20)18(15(17)21)10-16-8-3-5-11(16)12-6-4-9-22-12/h4,6,9,11H,2-3,5,7-8,10H2,1H3
InChIKeyYMVGFLXZLBEBAJ-UHFFFAOYSA-N
MW321.40 g/mol
LogP2.04
Rot. Bonds5

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

1-propyl-3-[(2-thiophen-2-ylpyrrolidin-1-yl)methyl]imidazolidine-2,4,5-trione (PubChem CID 18093199) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is 1-propyl-3-[(2-thiophen-2-ylpyrrolidin-1-yl)methyl]imidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-propyl-3-[(2-thiophen-2-ylpyrrolidin-1-yl)methyl]imidazolidine-2,4,5-trione
PubChem CID18093199
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC Name1-propyl-3-[(2-thiophen-2-ylpyrrolidin-1-yl)methyl]imidazolidine-2,4,5-trione
SMILESCCCN1C(=O)C(=O)N(CN2CCCC2c2cccs2)C1=O
InChIInChI=1S/C15H19N3O3S/c1-2-7-17-13(19)14(20)18(15(17)21)10-16-8-3-5-11(16)12-6-4-9-22-12/h4,6,9,11H,2-3,5,7-8,10H2,1H3
InChIKeyYMVGFLXZLBEBAJ-UHFFFAOYSA-N
XLogP2.04
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 52.04
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-(2-methylpropyl)-3-[(2-thiophen-2-ylpyrrolidin-1-yl)methyl]imidazolidine-2,4,5-trione
CID 18170819
1-(4-methylphenyl)-3-[[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]imidazolidine-2,4,5-trione
CID 9244879
1-(2-ethoxyphenyl)-3-[(2-thiophen-2-ylpyrrolidin-1-yl)methyl]imidazolidine-2,4,5-trione
CID 17475899
1-butyl-2-thiophen-2-ylpyrrolidine
CID 102544357
1-butyl-2-thiophen-2-ylpiperidine
CID 102544362
1-[[2-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-3-propylimidazolidine-2,4,5-trione
CID 18093302
8-tert-butyl-3-[(2-thiophen-2-ylpyrrolidin-1-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 18170818
1-(2-methylpropyl)-2-thiophen-2-ylpyrrolidine
CID 102544356
5,5-dimethyl-3-[2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione
CID 35429886
methyl 3-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]propanoate
CID 94488312
1-[[(2S)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]methyl]-3-(thiophen-2-ylmethyl)imidazolidine-2,4,5-trione
CID 37471199
(2R)-1-(3-methoxypropyl)-2-thiophen-2-ylpyrrolidine
CID 94383964

Frequently Asked Questions

What is the IUPAC name of 1-propyl-3-[(2-thiophen-2-ylpyrrolidin-1-yl)methyl]imidazolidine-2,4,5-trione?
The IUPAC name of 1-propyl-3-[(2-thiophen-2-ylpyrrolidin-1-yl)methyl]imidazolidine-2,4,5-trione (CID 18093199) is 1-propyl-3-[(2-thiophen-2-ylpyrrolidin-1-yl)methyl]imidazolidine-2,4,5-trione.
What is the SMILES notation for 1-propyl-3-[(2-thiophen-2-ylpyrrolidin-1-yl)methyl]imidazolidine-2,4,5-trione?
The canonical SMILES for 1-propyl-3-[(2-thiophen-2-ylpyrrolidin-1-yl)methyl]imidazolidine-2,4,5-trione is CCCN1C(=O)C(=O)N(CN2CCCC2c2cccs2)C1=O.
What is the InChIKey of 1-propyl-3-[(2-thiophen-2-ylpyrrolidin-1-yl)methyl]imidazolidine-2,4,5-trione?
The InChIKey is YMVGFLXZLBEBAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S/c1-2-7-17-13(19)14(20)18(15(17)21)10-16-8-3-5-11(16)12-6-4-9-22-12/h4,6,9,11H,2-3,5,7-8,10H2,1H3.
What are the key properties of 1-propyl-3-[(2-thiophen-2-ylpyrrolidin-1-yl)methyl]imidazolidine-2,4,5-trione?
1-propyl-3-[(2-thiophen-2-ylpyrrolidin-1-yl)methyl]imidazolidine-2,4,5-trione has a molecular weight of 321.40 g/mol, XLogP of 2.04, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-3-[(2-thiophen-2-ylpyrrolidin-1-yl)methyl]imidazolidine-2,4,5-trione is sourced from PubChem (CID 18093199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).