3-[[4-(benzylsulfanylmethyl)-2,5-dioxoimidazolidin-4-yl]methyl]-1,5,5-trimethylimidazolidine-2,4-dione

C18H22N4O4S — CID 23133580

IUPAC3-[[4-(benzylsulfanylmethyl)-2,5-dioxoimidazolidin-4-yl]methyl]-1,5,5-trimethylimidazolidine-2,4-dione
SMILESCN1C(=O)N(CC2(CSCc3ccccc3)NC(=O)NC2=O)C(=O)C1(C)C
InChIInChI=1S/C18H22N4O4S/c1-17(2)14(24)22(16(26)21(17)3)10-18(13(23)19-15(25)20-18)11-27-9-12-7-5-4-6-8-12/h4-8H,9-11H2,1-3H3,(H2,19,20,23,25)
InChIKeyCUUUXOJQESAZLK-UHFFFAOYSA-N
MW390.47 g/mol
LogP1.17
Rot. Bonds6

About 3-[[4-(benzylsulfanylmethyl)-2,5-dioxoimidazolidin-4-yl]methyl]-1,5,5-trimethylimidazolidine-2,4-dione

3-[[4-(benzylsulfanylmethyl)-2,5-dioxoimidazolidin-4-yl]methyl]-1,5,5-trimethylimidazolidine-2,4-dione (PubChem CID 23133580) has the molecular formula C18H22N4O4S and a molecular weight of 390.47 g/mol. Its IUPAC name is 3-[[4-(benzylsulfanylmethyl)-2,5-dioxoimidazolidin-4-yl]methyl]-1,5,5-trimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[[4-(benzylsulfanylmethyl)-2,5-dioxoimidazolidin-4-yl]methyl]-1,5,5-trimethylimidazolidine-2,4-dione
PubChem CID23133580
Molecular FormulaC18H22N4O4S
Molecular Weight390.47 g/mol
Exact Mass390.14
IUPAC Name3-[[4-(benzylsulfanylmethyl)-2,5-dioxoimidazolidin-4-yl]methyl]-1,5,5-trimethylimidazolidine-2,4-dione
SMILESCN1C(=O)N(CC2(CSCc3ccccc3)NC(=O)NC2=O)C(=O)C1(C)C
InChIInChI=1S/C18H22N4O4S/c1-17(2)14(24)22(16(26)21(17)3)10-18(13(23)19-15(25)20-18)11-27-9-12-7-5-4-6-8-12/h4-8H,9-11H2,1-3H3,(H2,19,20,23,25)
InChIKeyCUUUXOJQESAZLK-UHFFFAOYSA-N
XLogP1.17
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(benzylsulfanylmethyl)-2,5-dioxoimidazolidin-4-yl]methyl]-1,5,5-trimethylimidazolidine-2,4-dione?
The IUPAC name of 3-[[4-(benzylsulfanylmethyl)-2,5-dioxoimidazolidin-4-yl]methyl]-1,5,5-trimethylimidazolidine-2,4-dione (CID 23133580) is 3-[[4-(benzylsulfanylmethyl)-2,5-dioxoimidazolidin-4-yl]methyl]-1,5,5-trimethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[[4-(benzylsulfanylmethyl)-2,5-dioxoimidazolidin-4-yl]methyl]-1,5,5-trimethylimidazolidine-2,4-dione?
The canonical SMILES for 3-[[4-(benzylsulfanylmethyl)-2,5-dioxoimidazolidin-4-yl]methyl]-1,5,5-trimethylimidazolidine-2,4-dione is CN1C(=O)N(CC2(CSCc3ccccc3)NC(=O)NC2=O)C(=O)C1(C)C.
What is the InChIKey of 3-[[4-(benzylsulfanylmethyl)-2,5-dioxoimidazolidin-4-yl]methyl]-1,5,5-trimethylimidazolidine-2,4-dione?
The InChIKey is CUUUXOJQESAZLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O4S/c1-17(2)14(24)22(16(26)21(17)3)10-18(13(23)19-15(25)20-18)11-27-9-12-7-5-4-6-8-12/h4-8H,9-11H2,1-3H3,(H2,19,20,23,25).
What are the key properties of 3-[[4-(benzylsulfanylmethyl)-2,5-dioxoimidazolidin-4-yl]methyl]-1,5,5-trimethylimidazolidine-2,4-dione?
3-[[4-(benzylsulfanylmethyl)-2,5-dioxoimidazolidin-4-yl]methyl]-1,5,5-trimethylimidazolidine-2,4-dione has a molecular weight of 390.47 g/mol, XLogP of 1.17, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(benzylsulfanylmethyl)-2,5-dioxoimidazolidin-4-yl]methyl]-1,5,5-trimethylimidazolidine-2,4-dione is sourced from PubChem (CID 23133580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).