3-[(1,1-dioxothiolan-2-yl)methyl]-2-(2-methylphenyl)imidazolidin-4-one

C15H20N2O3S — CID 83266730

IUPAC3-[(1,1-dioxothiolan-2-yl)methyl]-2-(2-methylphenyl)imidazolidin-4-one
SMILESCc1ccccc1C1NCC(=O)N1CC1CCCS1(=O)=O
InChIInChI=1S/C15H20N2O3S/c1-11-5-2-3-7-13(11)15-16-9-14(18)17(15)10-12-6-4-8-21(12,19)20/h2-3,5,7,12,15-16H,4,6,8-10H2,1H3
InChIKeyWHRVCYNPDIHEEX-UHFFFAOYSA-N
MW308.40 g/mol
LogP1.00
Rot. Bonds3

About 3-[(1,1-dioxothiolan-2-yl)methyl]-2-(2-methylphenyl)imidazolidin-4-one

3-[(1,1-dioxothiolan-2-yl)methyl]-2-(2-methylphenyl)imidazolidin-4-one (PubChem CID 83266730) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is 3-[(1,1-dioxothiolan-2-yl)methyl]-2-(2-methylphenyl)imidazolidin-4-one.

Molecular Properties

Compound Name3-[(1,1-dioxothiolan-2-yl)methyl]-2-(2-methylphenyl)imidazolidin-4-one
PubChem CID83266730
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC Name3-[(1,1-dioxothiolan-2-yl)methyl]-2-(2-methylphenyl)imidazolidin-4-one
SMILESCc1ccccc1C1NCC(=O)N1CC1CCCS1(=O)=O
InChIInChI=1S/C15H20N2O3S/c1-11-5-2-3-7-13(11)15-16-9-14(18)17(15)10-12-6-4-8-21(12,19)20/h2-3,5,7,12,15-16H,4,6,8-10H2,1H3
InChIKeyWHRVCYNPDIHEEX-UHFFFAOYSA-N
XLogP1.00
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 ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-methylcyclohexyl)methyl]-2-(2-methylphenyl)imidazolidin-4-one
CID 83247608
3-[(1,1-dioxothiolan-2-yl)methyl]-2-(3-fluorophenyl)imidazolidin-4-one
CID 83266741
3-[(1,1-dioxothiolan-2-yl)methyl]-2-methylimidazolidin-4-one
CID 83271086
2-(2-methylphenyl)-3-(2,2,2-trifluoroethyl)imidazolidin-4-one
CID 115282336
2-(2-methylphenyl)-3-(oxan-3-ylmethyl)imidazolidin-4-one
CID 83248824
3-[2-(dimethylamino)-2-methylpropyl]-2-(2-methylphenyl)imidazolidin-4-one
CID 83252005
3-(4-methylpentyl)-2-(2-methylphenyl)imidazolidin-4-one
CID 83254947
3-cyclopentyl-2-(2-methylphenyl)imidazolidin-4-one
CID 83243092
3-(cyclopentylmethyl)-2-(2,5-dimethylphenyl)imidazolidin-4-one
CID 83243427
3-(2-methylcycloheptyl)-2-(2-methylphenyl)imidazolidin-4-one
CID 83268413
3-[(1,1-dioxothiolan-2-yl)methyl]-4-methyl-1H-benzimidazol-2-one
CID 117208821
2-(2,4-dimethylphenyl)-3-[(1-methylpyrrolidin-3-yl)methyl]imidazolidin-4-one
CID 83245513

Frequently Asked Questions

What is the IUPAC name of 3-[(1,1-dioxothiolan-2-yl)methyl]-2-(2-methylphenyl)imidazolidin-4-one?
The IUPAC name of 3-[(1,1-dioxothiolan-2-yl)methyl]-2-(2-methylphenyl)imidazolidin-4-one (CID 83266730) is 3-[(1,1-dioxothiolan-2-yl)methyl]-2-(2-methylphenyl)imidazolidin-4-one.
What is the SMILES notation for 3-[(1,1-dioxothiolan-2-yl)methyl]-2-(2-methylphenyl)imidazolidin-4-one?
The canonical SMILES for 3-[(1,1-dioxothiolan-2-yl)methyl]-2-(2-methylphenyl)imidazolidin-4-one is Cc1ccccc1C1NCC(=O)N1CC1CCCS1(=O)=O.
What is the InChIKey of 3-[(1,1-dioxothiolan-2-yl)methyl]-2-(2-methylphenyl)imidazolidin-4-one?
The InChIKey is WHRVCYNPDIHEEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c1-11-5-2-3-7-13(11)15-16-9-14(18)17(15)10-12-6-4-8-21(12,19)20/h2-3,5,7,12,15-16H,4,6,8-10H2,1H3.
What are the key properties of 3-[(1,1-dioxothiolan-2-yl)methyl]-2-(2-methylphenyl)imidazolidin-4-one?
3-[(1,1-dioxothiolan-2-yl)methyl]-2-(2-methylphenyl)imidazolidin-4-one has a molecular weight of 308.40 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,1-dioxothiolan-2-yl)methyl]-2-(2-methylphenyl)imidazolidin-4-one is sourced from PubChem (CID 83266730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).