3-(3-chlorophenyl)-1-methyl-2-sulfanylideneimidazolidin-4-one

C10H9ClN2OS — CID 97455638

IUPAC3-(3-chlorophenyl)-1-methyl-2-sulfanylideneimidazolidin-4-one
SMILESCN1CC(=O)N(c2cccc(Cl)c2)C1=S
InChIInChI=1S/C10H9ClN2OS/c1-12-6-9(14)13(10(12)15)8-4-2-3-7(11)5-8/h2-5H,6H2,1H3
InChIKeyWUBSWAYTABNEAU-UHFFFAOYSA-N
MW240.72 g/mol
LogP1.90
Rot. Bonds1

About 3-(3-chlorophenyl)-1-methyl-2-sulfanylideneimidazolidin-4-one

3-(3-chlorophenyl)-1-methyl-2-sulfanylideneimidazolidin-4-one (PubChem CID 97455638) has the molecular formula C10H9ClN2OS and a molecular weight of 240.72 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-1-methyl-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name3-(3-chlorophenyl)-1-methyl-2-sulfanylideneimidazolidin-4-one
PubChem CID97455638
Molecular FormulaC10H9ClN2OS
Molecular Weight240.72 g/mol
Exact Mass240.01
IUPAC Name3-(3-chlorophenyl)-1-methyl-2-sulfanylideneimidazolidin-4-one
SMILESCN1CC(=O)N(c2cccc(Cl)c2)C1=S
InChIInChI=1S/C10H9ClN2OS/c1-12-6-9(14)13(10(12)15)8-4-2-3-7(11)5-8/h2-5H,6H2,1H3
InChIKeyWUBSWAYTABNEAU-UHFFFAOYSA-N
XLogP1.90
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.72
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(3-chlorophenyl)-1-[(3,4-dimethoxyphenyl)methyl]-2-sulfanylideneimidazolidin-4-one
CID 4164982
3-(3-chlorophenyl)-1-cyclopropylimidazolidine-2,4-dione
CID 54924311
3-(3-aminophenyl)-1-(3-chlorophenyl)imidazolidine-2,4-dione
CID 60835954
1-(3-chlorophenyl)-3-methylpyrrolidine-2,5-dione
CID 71519662
4-(3-chlorophenyl)-1,2,4-triazole-3,5-dione
CID 15179076
3-(3-chlorophenyl)-1-prop-2-enylimidazolidine-2,4-dione
CID 79285648
1-(3-aminophenyl)-4-methyl-3H-quinoxalin-2-one
CID 117030723
1-(3-chlorophenyl)-4-(4-methylphenyl)piperidine-2,6-dione
CID 46298369
3-(4-chloro-3-hydroxyphenyl)-1-methylimidazolidine-2,4-dione
CID 58393612
1-(3-chlorophenyl)-3-[4-[1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]pyrrolidine-2,5-dione
CID 3091910
1-(3-chlorophenyl)-6-hydroxy-2-sulfanylidenepyrimidin-4-one
CID 1225074
1-(3-chlorophenyl)-5,5-dimethyl-1,3-diazinane-2,4,6-trione
CID 112598230

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-1-methyl-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of 3-(3-chlorophenyl)-1-methyl-2-sulfanylideneimidazolidin-4-one (CID 97455638) is 3-(3-chlorophenyl)-1-methyl-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for 3-(3-chlorophenyl)-1-methyl-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for 3-(3-chlorophenyl)-1-methyl-2-sulfanylideneimidazolidin-4-one is CN1CC(=O)N(c2cccc(Cl)c2)C1=S.
What is the InChIKey of 3-(3-chlorophenyl)-1-methyl-2-sulfanylideneimidazolidin-4-one?
The InChIKey is WUBSWAYTABNEAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2OS/c1-12-6-9(14)13(10(12)15)8-4-2-3-7(11)5-8/h2-5H,6H2,1H3.
What are the key properties of 3-(3-chlorophenyl)-1-methyl-2-sulfanylideneimidazolidin-4-one?
3-(3-chlorophenyl)-1-methyl-2-sulfanylideneimidazolidin-4-one has a molecular weight of 240.72 g/mol, XLogP of 1.90, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-1-methyl-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 97455638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).