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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Related Compounds

N,N-dimethyl-2-(5-oxo-4,4-diphenyl-2-sulfanylideneimidazolidin-1-yl)acetamide
CID 11199004
5-(4-benzylphenyl)-3-(4-chlorophenyl)-5-methyl-2-sulfanylideneimidazolidin-4-one
CID 87951519
5-methyl-3-(2-phenylethyl)-5-pyridin-4-ylimidazolidine-2,4-dione
CID 110226505
2,2-dimethyl-5,5-diphenyl-3-(2-phenylethyl)imidazolidin-4-one
CID 145460405
3-[(4-methylphenyl)methyl]-5,5-diphenylimidazolidine-2,4-dione
CID 4810451
3-[(2,4-dichlorophenyl)methyl]-5,5-diphenylimidazolidine-2,4-dione
CID 4272734
(3aR,4S,7S,7aR)-2-[2-(4-chlorophenyl)ethyl]-4,7-diphenyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 40899215
5-[2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-oxoethyl]-3-(2-phenylethyl)imidazolidine-2,4-dione
CID 71701821
3-benzyl-5,5-diethylimidazolidine-2,4-dione
CID 7181081
5,5-dimethyl-3-(2-phenylethyl)-1,3-diazinane-2,4-dione
CID 167969844
3-[2-(2,4-dichlorophenoxy)ethyl]-5,5-diphenylimidazolidine-2,4-dione
CID 5095700
2-[4-(2-methylpropyl)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]acetic acid
CID 19705480

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).