5,5-bis(4-chlorophenyl)-3-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-one

C23H18Cl2N2OS — CID 11408073

IUPAC5,5-bis(4-chlorophenyl)-3-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-one
SMILESO=C1N(CCc2ccccc2)C(=S)NC1(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C23H18Cl2N2OS/c24-19-10-6-17(7-11-19)23(18-8-12-20(25)13-9-18)21(28)27(22(29)26-23)15-14-16-4-2-1-3-5-16/h1-13H,14-15H2,(H,26,29)
InChIKeyRPVFNXLVQVHDAD-UHFFFAOYSA-N
MW441.38 g/mol
LogP5.20
Rot. Bonds5

About 5,5-bis(4-chlorophenyl)-3-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-one

5,5-bis(4-chlorophenyl)-3-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-one (PubChem CID 11408073) has the molecular formula C23H18Cl2N2OS and a molecular weight of 441.38 g/mol. Its IUPAC name is 5,5-bis(4-chlorophenyl)-3-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name5,5-bis(4-chlorophenyl)-3-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-one
PubChem CID11408073
Molecular FormulaC23H18Cl2N2OS
Molecular Weight441.38 g/mol
Exact Mass440.05
IUPAC Name5,5-bis(4-chlorophenyl)-3-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-one
SMILESO=C1N(CCc2ccccc2)C(=S)NC1(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C23H18Cl2N2OS/c24-19-10-6-17(7-11-19)23(18-8-12-20(25)13-9-18)21(28)27(22(29)26-23)15-14-16-4-2-1-3-5-16/h1-13H,14-15H2,(H,26,29)
InChIKeyRPVFNXLVQVHDAD-UHFFFAOYSA-N
XLogP5.20
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.38
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,5-bis(4-chlorophenyl)-3-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of 5,5-bis(4-chlorophenyl)-3-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-one (CID 11408073) is 5,5-bis(4-chlorophenyl)-3-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for 5,5-bis(4-chlorophenyl)-3-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for 5,5-bis(4-chlorophenyl)-3-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-one is O=C1N(CCc2ccccc2)C(=S)NC1(c1ccc(Cl)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 5,5-bis(4-chlorophenyl)-3-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-one?
The InChIKey is RPVFNXLVQVHDAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18Cl2N2OS/c24-19-10-6-17(7-11-19)23(18-8-12-20(25)13-9-18)21(28)27(22(29)26-23)15-14-16-4-2-1-3-5-16/h1-13H,14-15H2,(H,26,29).
What are the key properties of 5,5-bis(4-chlorophenyl)-3-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-one?
5,5-bis(4-chlorophenyl)-3-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-one has a molecular weight of 441.38 g/mol, XLogP of 5.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-bis(4-chlorophenyl)-3-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 11408073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).