5,5-dicyclopropyl-3-[[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methyl]imidazolidine-2,4-dione

C18H23N3O2S — CID 95567423

IUPAC5,5-dicyclopropyl-3-[[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methyl]imidazolidine-2,4-dione
SMILESO=C1NC(C2CC2)(C2CC2)C(=O)N1CN1CCC[C@@H]1c1ccsc1
InChIInChI=1S/C18H23N3O2S/c22-16-18(13-3-4-13,14-5-6-14)19-17(23)21(16)11-20-8-1-2-15(20)12-7-9-24-10-12/h7,9-10,13-15H,1-6,8,11H2,(H,19,23)/t15-/m1/s1
InChIKeyULGNXPMQMJVMDO-OAHLLOKOSA-N
MW345.47 g/mol
LogP2.95
Rot. Bonds5

About 5,5-dicyclopropyl-3-[[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methyl]imidazolidine-2,4-dione

5,5-dicyclopropyl-3-[[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methyl]imidazolidine-2,4-dione (PubChem CID 95567423) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is 5,5-dicyclopropyl-3-[[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5,5-dicyclopropyl-3-[[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methyl]imidazolidine-2,4-dione
PubChem CID95567423
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC Name5,5-dicyclopropyl-3-[[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methyl]imidazolidine-2,4-dione
SMILESO=C1NC(C2CC2)(C2CC2)C(=O)N1CN1CCC[C@@H]1c1ccsc1
InChIInChI=1S/C18H23N3O2S/c22-16-18(13-3-4-13,14-5-6-14)19-17(23)21(16)11-20-8-1-2-15(20)12-7-9-24-10-12/h7,9-10,13-15H,1-6,8,11H2,(H,19,23)/t15-/m1/s1
InChIKeyULGNXPMQMJVMDO-OAHLLOKOSA-N
XLogP2.95
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,5-dicyclopropyl-3-[[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methyl]imidazolidine-2,4-dione?
The IUPAC name of 5,5-dicyclopropyl-3-[[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methyl]imidazolidine-2,4-dione (CID 95567423) is 5,5-dicyclopropyl-3-[[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5,5-dicyclopropyl-3-[[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methyl]imidazolidine-2,4-dione?
The canonical SMILES for 5,5-dicyclopropyl-3-[[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methyl]imidazolidine-2,4-dione is O=C1NC(C2CC2)(C2CC2)C(=O)N1CN1CCC[C@@H]1c1ccsc1.
What is the InChIKey of 5,5-dicyclopropyl-3-[[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methyl]imidazolidine-2,4-dione?
The InChIKey is ULGNXPMQMJVMDO-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H23N3O2S/c22-16-18(13-3-4-13,14-5-6-14)19-17(23)21(16)11-20-8-1-2-15(20)12-7-9-24-10-12/h7,9-10,13-15H,1-6,8,11H2,(H,19,23)/t15-/m1/s1.
What are the key properties of 5,5-dicyclopropyl-3-[[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methyl]imidazolidine-2,4-dione?
5,5-dicyclopropyl-3-[[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methyl]imidazolidine-2,4-dione has a molecular weight of 345.47 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dicyclopropyl-3-[[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 95567423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).