5-benzyl-3-(1,1-dioxothiolan-3-yl)-2-methylimidazolidin-4-one

C15H20N2O3S — CID 83238383

IUPAC5-benzyl-3-(1,1-dioxothiolan-3-yl)-2-methylimidazolidin-4-one
SMILESCC1NC(Cc2ccccc2)C(=O)N1C1CCS(=O)(=O)C1
InChIInChI=1S/C15H20N2O3S/c1-11-16-14(9-12-5-3-2-4-6-12)15(18)17(11)13-7-8-21(19,20)10-13/h2-6,11,13-14,16H,7-10H2,1H3
InChIKeyLAXPKFKJFXCDIT-UHFFFAOYSA-N
MW308.40 g/mol
LogP0.56
Rot. Bonds3

About 5-benzyl-3-(1,1-dioxothiolan-3-yl)-2-methylimidazolidin-4-one

5-benzyl-3-(1,1-dioxothiolan-3-yl)-2-methylimidazolidin-4-one (PubChem CID 83238383) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is 5-benzyl-3-(1,1-dioxothiolan-3-yl)-2-methylimidazolidin-4-one.

Molecular Properties

Compound Name5-benzyl-3-(1,1-dioxothiolan-3-yl)-2-methylimidazolidin-4-one
PubChem CID83238383
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC Name5-benzyl-3-(1,1-dioxothiolan-3-yl)-2-methylimidazolidin-4-one
SMILESCC1NC(Cc2ccccc2)C(=O)N1C1CCS(=O)(=O)C1
InChIInChI=1S/C15H20N2O3S/c1-11-16-14(9-12-5-3-2-4-6-12)15(18)17(11)13-7-8-21(19,20)10-13/h2-6,11,13-14,16H,7-10H2,1H3
InChIKeyLAXPKFKJFXCDIT-UHFFFAOYSA-N
XLogP0.56
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-3-(1,1-dioxothiolan-3-yl)-2-methylimidazolidin-4-one?
The IUPAC name of 5-benzyl-3-(1,1-dioxothiolan-3-yl)-2-methylimidazolidin-4-one (CID 83238383) is 5-benzyl-3-(1,1-dioxothiolan-3-yl)-2-methylimidazolidin-4-one.
What is the SMILES notation for 5-benzyl-3-(1,1-dioxothiolan-3-yl)-2-methylimidazolidin-4-one?
The canonical SMILES for 5-benzyl-3-(1,1-dioxothiolan-3-yl)-2-methylimidazolidin-4-one is CC1NC(Cc2ccccc2)C(=O)N1C1CCS(=O)(=O)C1.
What is the InChIKey of 5-benzyl-3-(1,1-dioxothiolan-3-yl)-2-methylimidazolidin-4-one?
The InChIKey is LAXPKFKJFXCDIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c1-11-16-14(9-12-5-3-2-4-6-12)15(18)17(11)13-7-8-21(19,20)10-13/h2-6,11,13-14,16H,7-10H2,1H3.
What are the key properties of 5-benzyl-3-(1,1-dioxothiolan-3-yl)-2-methylimidazolidin-4-one?
5-benzyl-3-(1,1-dioxothiolan-3-yl)-2-methylimidazolidin-4-one has a molecular weight of 308.40 g/mol, XLogP of 0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-3-(1,1-dioxothiolan-3-yl)-2-methylimidazolidin-4-one is sourced from PubChem (CID 83238383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).