5-[2-(4-bromophenyl)-2-oxoethyl]-1,3-diphenyl-2-sulfanylideneimidazolidin-4-one

C23H17BrN2O2S — CID 3436919

IUPAC5-[2-(4-bromophenyl)-2-oxoethyl]-1,3-diphenyl-2-sulfanylideneimidazolidin-4-one
SMILESO=C(CC1C(=O)N(c2ccccc2)C(=S)N1c1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C23H17BrN2O2S/c24-17-13-11-16(12-14-17)21(27)15-20-22(28)26(19-9-5-2-6-10-19)23(29)25(20)18-7-3-1-4-8-18/h1-14,20H,15H2
InChIKeyZSJGBXSGVTXCSJ-UHFFFAOYSA-N
MW465.37 g/mol
LogP5.23
Rot. Bonds5

About 5-[2-(4-bromophenyl)-2-oxoethyl]-1,3-diphenyl-2-sulfanylideneimidazolidin-4-one

5-[2-(4-bromophenyl)-2-oxoethyl]-1,3-diphenyl-2-sulfanylideneimidazolidin-4-one (PubChem CID 3436919) has the molecular formula C23H17BrN2O2S and a molecular weight of 465.37 g/mol. Its IUPAC name is 5-[2-(4-bromophenyl)-2-oxoethyl]-1,3-diphenyl-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name5-[2-(4-bromophenyl)-2-oxoethyl]-1,3-diphenyl-2-sulfanylideneimidazolidin-4-one
PubChem CID3436919
Molecular FormulaC23H17BrN2O2S
Molecular Weight465.37 g/mol
Exact Mass464.02
IUPAC Name5-[2-(4-bromophenyl)-2-oxoethyl]-1,3-diphenyl-2-sulfanylideneimidazolidin-4-one
SMILESO=C(CC1C(=O)N(c2ccccc2)C(=S)N1c1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C23H17BrN2O2S/c24-17-13-11-16(12-14-17)21(27)15-20-22(28)26(19-9-5-2-6-10-19)23(29)25(20)18-7-3-1-4-8-18/h1-14,20H,15H2
InChIKeyZSJGBXSGVTXCSJ-UHFFFAOYSA-N
XLogP5.23
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.37
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[2-(4-bromophenyl)-2-oxoethyl]-1,3-diphenyl-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of 5-[2-(4-bromophenyl)-2-oxoethyl]-1,3-diphenyl-2-sulfanylideneimidazolidin-4-one (CID 3436919) is 5-[2-(4-bromophenyl)-2-oxoethyl]-1,3-diphenyl-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for 5-[2-(4-bromophenyl)-2-oxoethyl]-1,3-diphenyl-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for 5-[2-(4-bromophenyl)-2-oxoethyl]-1,3-diphenyl-2-sulfanylideneimidazolidin-4-one is O=C(CC1C(=O)N(c2ccccc2)C(=S)N1c1ccccc1)c1ccc(Br)cc1.
What is the InChIKey of 5-[2-(4-bromophenyl)-2-oxoethyl]-1,3-diphenyl-2-sulfanylideneimidazolidin-4-one?
The InChIKey is ZSJGBXSGVTXCSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17BrN2O2S/c24-17-13-11-16(12-14-17)21(27)15-20-22(28)26(19-9-5-2-6-10-19)23(29)25(20)18-7-3-1-4-8-18/h1-14,20H,15H2.
What are the key properties of 5-[2-(4-bromophenyl)-2-oxoethyl]-1,3-diphenyl-2-sulfanylideneimidazolidin-4-one?
5-[2-(4-bromophenyl)-2-oxoethyl]-1,3-diphenyl-2-sulfanylideneimidazolidin-4-one has a molecular weight of 465.37 g/mol, XLogP of 5.23, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-bromophenyl)-2-oxoethyl]-1,3-diphenyl-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 3436919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).