3-[(4-methylphenyl)methyl]-2-sulfanylideneimidazolidin-4-one

C11H12N2OS — CID 2746865

IUPAC3-[(4-methylphenyl)methyl]-2-sulfanylideneimidazolidin-4-one
SMILESCc1ccc(CN2C(=O)CNC2=S)cc1
InChIInChI=1S/C11H12N2OS/c1-8-2-4-9(5-3-8)7-13-10(14)6-12-11(13)15/h2-5H,6-7H2,1H3,(H,12,15)
InChIKeyKZOVVIVTPBAMIA-UHFFFAOYSA-N
MW220.30 g/mol
LogP1.21
Rot. Bonds2

About 3-[(4-methylphenyl)methyl]-2-sulfanylideneimidazolidin-4-one

3-[(4-methylphenyl)methyl]-2-sulfanylideneimidazolidin-4-one (PubChem CID 2746865) has the molecular formula C11H12N2OS and a molecular weight of 220.30 g/mol. Its IUPAC name is 3-[(4-methylphenyl)methyl]-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name3-[(4-methylphenyl)methyl]-2-sulfanylideneimidazolidin-4-one
PubChem CID2746865
Molecular FormulaC11H12N2OS
Molecular Weight220.30 g/mol
Exact Mass220.07
IUPAC Name3-[(4-methylphenyl)methyl]-2-sulfanylideneimidazolidin-4-one
SMILESCc1ccc(CN2C(=O)CNC2=S)cc1
InChIInChI=1S/C11H12N2OS/c1-8-2-4-9(5-3-8)7-13-10(14)6-12-11(13)15/h2-5H,6-7H2,1H3,(H,12,15)
InChIKeyKZOVVIVTPBAMIA-UHFFFAOYSA-N
XLogP1.21
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-Benzylimidazolidine-2,4,5-trione
CID 562619
2,4-Imidazolidinedione, 3-(phenylmethyl)-
CID 231959
1-Benzylimidazolidin-2-one
CID 231403
3-(1-Benzyl-5-oxo-2-sulfanylideneimidazolidin-4-yl)propanamide
CID 2871854
1-[(2-Fluorophenyl)methyl]imidazolidine-2,4,5-trione
CID 2767579
3-Benzyl-5-(2-(methylthio)ethyl)-2-thioxoimidazolidin-4-one
CID 2901741
3-(4-Fluorobenzyl)-2-thioxoimidazolidin-4-one
CID 7422647
3-Benzyl-2,5-dioxo-4,4-dimethylimidazolidine
CID 4601988
Simufilam
CID 46195331
1-Benzoyl-2-thiohydantoin
CID 949912
2-(3-Benzyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
CID 1873399
1-[(2-chlorophenyl)methyl]-2-sulfanyl-4,5-dihydro-1H-imidazol-5-one
CID 2726677

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylphenyl)methyl]-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of 3-[(4-methylphenyl)methyl]-2-sulfanylideneimidazolidin-4-one (CID 2746865) is 3-[(4-methylphenyl)methyl]-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for 3-[(4-methylphenyl)methyl]-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for 3-[(4-methylphenyl)methyl]-2-sulfanylideneimidazolidin-4-one is Cc1ccc(CN2C(=O)CNC2=S)cc1.
What is the InChIKey of 3-[(4-methylphenyl)methyl]-2-sulfanylideneimidazolidin-4-one?
The InChIKey is KZOVVIVTPBAMIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2OS/c1-8-2-4-9(5-3-8)7-13-10(14)6-12-11(13)15/h2-5H,6-7H2,1H3,(H,12,15).
What are the key properties of 3-[(4-methylphenyl)methyl]-2-sulfanylideneimidazolidin-4-one?
3-[(4-methylphenyl)methyl]-2-sulfanylideneimidazolidin-4-one has a molecular weight of 220.30 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylphenyl)methyl]-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 2746865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).