1-[[5-[2-(2-hydroxyethoxy)ethylsulfanyl]-1,3,4-oxadiazol-2-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione

C22H22N4O5S — CID 71596852

IUPAC1-[[5-[2-(2-hydroxyethoxy)ethylsulfanyl]-1,3,4-oxadiazol-2-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione
SMILESO=C1NC(=O)C(c2ccccc2)(c2ccccc2)N1Cc1nnc(SCCOCCO)o1
InChIInChI=1S/C22H22N4O5S/c27-11-12-30-13-14-32-21-25-24-18(31-21)15-26-20(29)23-19(28)22(26,16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,27H,11-15H2,(H,23,28,29)
InChIKeyIHXKKPVROHYCML-UHFFFAOYSA-N
MW454.51 g/mol
LogP2.17
Rot. Bonds10

About 1-[[5-[2-(2-hydroxyethoxy)ethylsulfanyl]-1,3,4-oxadiazol-2-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione

1-[[5-[2-(2-hydroxyethoxy)ethylsulfanyl]-1,3,4-oxadiazol-2-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione (PubChem CID 71596852) has the molecular formula C22H22N4O5S and a molecular weight of 454.51 g/mol. Its IUPAC name is 1-[[5-[2-(2-hydroxyethoxy)ethylsulfanyl]-1,3,4-oxadiazol-2-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[[5-[2-(2-hydroxyethoxy)ethylsulfanyl]-1,3,4-oxadiazol-2-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione
PubChem CID71596852
Molecular FormulaC22H22N4O5S
Molecular Weight454.51 g/mol
Exact Mass454.13
IUPAC Name1-[[5-[2-(2-hydroxyethoxy)ethylsulfanyl]-1,3,4-oxadiazol-2-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione
SMILESO=C1NC(=O)C(c2ccccc2)(c2ccccc2)N1Cc1nnc(SCCOCCO)o1
InChIInChI=1S/C22H22N4O5S/c27-11-12-30-13-14-32-21-25-24-18(31-21)15-26-20(29)23-19(28)22(26,16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,27H,11-15H2,(H,23,28,29)
InChIKeyIHXKKPVROHYCML-UHFFFAOYSA-N
XLogP2.17
TPSA117.79 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.51
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[[5-[(2-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethoxy]ethanol
CID 111433038
2-[[5-(benzimidazol-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid
CID 28693158
2-[2-[(5-piperidin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethoxy]ethanol
CID 112751764
2-(2,4-dioxo-5,5-diphenylimidazolidin-1-yl)acetohydrazide
CID 71597386
1-[[5-[2-(2,6-dichlorophenoxy)ethylsulfanyl]-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-2-one
CID 84602954
N-benzyl-2-[[5-[(2-oxopyrrolidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 39921985
N-[(1-phenylcyclopropyl)methyl]-2-[[5-(1,2,4-triazol-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 78842292
2-[[5-[(2-bromophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid
CID 53263484
2-(2-ethoxyethylsulfanyl)-5-(methylsulfanylmethyl)-1,3,4-oxadiazole
CID 78831817
2-[2-[(5-propyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethoxy]benzaldehyde
CID 23009974
N-(4-fluorophenyl)-2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 1157896
N-[[5-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 7205193

Frequently Asked Questions

What is the IUPAC name of 1-[[5-[2-(2-hydroxyethoxy)ethylsulfanyl]-1,3,4-oxadiazol-2-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione?
The IUPAC name of 1-[[5-[2-(2-hydroxyethoxy)ethylsulfanyl]-1,3,4-oxadiazol-2-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione (CID 71596852) is 1-[[5-[2-(2-hydroxyethoxy)ethylsulfanyl]-1,3,4-oxadiazol-2-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione.
What is the SMILES notation for 1-[[5-[2-(2-hydroxyethoxy)ethylsulfanyl]-1,3,4-oxadiazol-2-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione?
The canonical SMILES for 1-[[5-[2-(2-hydroxyethoxy)ethylsulfanyl]-1,3,4-oxadiazol-2-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione is O=C1NC(=O)C(c2ccccc2)(c2ccccc2)N1Cc1nnc(SCCOCCO)o1.
What is the InChIKey of 1-[[5-[2-(2-hydroxyethoxy)ethylsulfanyl]-1,3,4-oxadiazol-2-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione?
The InChIKey is IHXKKPVROHYCML-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O5S/c27-11-12-30-13-14-32-21-25-24-18(31-21)15-26-20(29)23-19(28)22(26,16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,27H,11-15H2,(H,23,28,29).
What are the key properties of 1-[[5-[2-(2-hydroxyethoxy)ethylsulfanyl]-1,3,4-oxadiazol-2-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione?
1-[[5-[2-(2-hydroxyethoxy)ethylsulfanyl]-1,3,4-oxadiazol-2-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione has a molecular weight of 454.51 g/mol, XLogP of 2.17, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-[2-(2-hydroxyethoxy)ethylsulfanyl]-1,3,4-oxadiazol-2-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione is sourced from PubChem (CID 71596852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).