5-(benzylsulfanylmethyl)-5-methylimidazolidine-2,4-dione

C12H14N2O2S — CID 23077149

IUPAC5-(benzylsulfanylmethyl)-5-methylimidazolidine-2,4-dione
SMILESCC1(CSCc2ccccc2)NC(=O)NC1=O
InChIInChI=1S/C12H14N2O2S/c1-12(10(15)13-11(16)14-12)8-17-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H2,13,14,15,16)
InChIKeyQDXMWEMIYNOVGF-UHFFFAOYSA-N
MW250.32 g/mol
LogP1.52
Rot. Bonds4

About 5-(benzylsulfanylmethyl)-5-methylimidazolidine-2,4-dione

5-(benzylsulfanylmethyl)-5-methylimidazolidine-2,4-dione (PubChem CID 23077149) has the molecular formula C12H14N2O2S and a molecular weight of 250.32 g/mol. Its IUPAC name is 5-(benzylsulfanylmethyl)-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(benzylsulfanylmethyl)-5-methylimidazolidine-2,4-dione
PubChem CID23077149
Molecular FormulaC12H14N2O2S
Molecular Weight250.32 g/mol
Exact Mass250.08
IUPAC Name5-(benzylsulfanylmethyl)-5-methylimidazolidine-2,4-dione
SMILESCC1(CSCc2ccccc2)NC(=O)NC1=O
InChIInChI=1S/C12H14N2O2S/c1-12(10(15)13-11(16)14-12)8-17-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H2,13,14,15,16)
InChIKeyQDXMWEMIYNOVGF-UHFFFAOYSA-N
XLogP1.52
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(benzylsulfanylmethyl)-5-methylimidazolidine-2,4-dione?
The IUPAC name of 5-(benzylsulfanylmethyl)-5-methylimidazolidine-2,4-dione (CID 23077149) is 5-(benzylsulfanylmethyl)-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 5-(benzylsulfanylmethyl)-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 5-(benzylsulfanylmethyl)-5-methylimidazolidine-2,4-dione is CC1(CSCc2ccccc2)NC(=O)NC1=O.
What is the InChIKey of 5-(benzylsulfanylmethyl)-5-methylimidazolidine-2,4-dione?
The InChIKey is QDXMWEMIYNOVGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S/c1-12(10(15)13-11(16)14-12)8-17-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H2,13,14,15,16).
What are the key properties of 5-(benzylsulfanylmethyl)-5-methylimidazolidine-2,4-dione?
5-(benzylsulfanylmethyl)-5-methylimidazolidine-2,4-dione has a molecular weight of 250.32 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzylsulfanylmethyl)-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 23077149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).