5,5-dibenzyl-3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]imidazolidine-2,4-dione

C24H20N4O3S — CID 2438955

IUPAC5,5-dibenzyl-3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]imidazolidine-2,4-dione
SMILESO=C1NC(Cc2ccccc2)(Cc2ccccc2)C(=O)N1Cc1nnc(-c2cccs2)o1
InChIInChI=1S/C24H20N4O3S/c29-22-24(14-17-8-3-1-4-9-17,15-18-10-5-2-6-11-18)25-23(30)28(22)16-20-26-27-21(31-20)19-12-7-13-32-19/h1-13H,14-16H2,(H,25,30)
InChIKeyUPDSIMXTQNRGEI-UHFFFAOYSA-N
MW444.52 g/mol
LogP4.07
Rot. Bonds7

About 5,5-dibenzyl-3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]imidazolidine-2,4-dione

5,5-dibenzyl-3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]imidazolidine-2,4-dione (PubChem CID 2438955) has the molecular formula C24H20N4O3S and a molecular weight of 444.52 g/mol. Its IUPAC name is 5,5-dibenzyl-3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5,5-dibenzyl-3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]imidazolidine-2,4-dione
PubChem CID2438955
Molecular FormulaC24H20N4O3S
Molecular Weight444.52 g/mol
Exact Mass444.13
IUPAC Name5,5-dibenzyl-3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]imidazolidine-2,4-dione
SMILESO=C1NC(Cc2ccccc2)(Cc2ccccc2)C(=O)N1Cc1nnc(-c2cccs2)o1
InChIInChI=1S/C24H20N4O3S/c29-22-24(14-17-8-3-1-4-9-17,15-18-10-5-2-6-11-18)25-23(30)28(22)16-20-26-27-21(31-20)19-12-7-13-32-19/h1-13H,14-16H2,(H,25,30)
InChIKeyUPDSIMXTQNRGEI-UHFFFAOYSA-N
XLogP4.07
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.52
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-dibenzyl-3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]imidazolidine-2,4-dione?
The IUPAC name of 5,5-dibenzyl-3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]imidazolidine-2,4-dione (CID 2438955) is 5,5-dibenzyl-3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5,5-dibenzyl-3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for 5,5-dibenzyl-3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]imidazolidine-2,4-dione is O=C1NC(Cc2ccccc2)(Cc2ccccc2)C(=O)N1Cc1nnc(-c2cccs2)o1.
What is the InChIKey of 5,5-dibenzyl-3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]imidazolidine-2,4-dione?
The InChIKey is UPDSIMXTQNRGEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O3S/c29-22-24(14-17-8-3-1-4-9-17,15-18-10-5-2-6-11-18)25-23(30)28(22)16-20-26-27-21(31-20)19-12-7-13-32-19/h1-13H,14-16H2,(H,25,30).
What are the key properties of 5,5-dibenzyl-3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]imidazolidine-2,4-dione?
5,5-dibenzyl-3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]imidazolidine-2,4-dione has a molecular weight of 444.52 g/mol, XLogP of 4.07, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dibenzyl-3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 2438955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).