5,5-bis(4-bromophenyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one

C21H14Br2N2OS — CID 11569628

IUPAC5,5-bis(4-bromophenyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one
SMILESO=C1N(c2ccccc2)C(=S)NC1(c1ccc(Br)cc1)c1ccc(Br)cc1
InChIInChI=1S/C21H14Br2N2OS/c22-16-10-6-14(7-11-16)21(15-8-12-17(23)13-9-15)19(26)25(20(27)24-21)18-4-2-1-3-5-18/h1-13H,(H,24,27)
InChIKeyQSODNAABVYLCPY-UHFFFAOYSA-N
MW502.23 g/mol
LogP5.38
Rot. Bonds3

About 5,5-bis(4-bromophenyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one

5,5-bis(4-bromophenyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one (PubChem CID 11569628) has the molecular formula C21H14Br2N2OS and a molecular weight of 502.23 g/mol. Its IUPAC name is 5,5-bis(4-bromophenyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name5,5-bis(4-bromophenyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one
PubChem CID11569628
Molecular FormulaC21H14Br2N2OS
Molecular Weight502.23 g/mol
Exact Mass499.92
IUPAC Name5,5-bis(4-bromophenyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one
SMILESO=C1N(c2ccccc2)C(=S)NC1(c1ccc(Br)cc1)c1ccc(Br)cc1
InChIInChI=1S/C21H14Br2N2OS/c22-16-10-6-14(7-11-16)21(15-8-12-17(23)13-9-15)19(26)25(20(27)24-21)18-4-2-1-3-5-18/h1-13H,(H,24,27)
InChIKeyQSODNAABVYLCPY-UHFFFAOYSA-N
XLogP5.38
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.23
LogP ≤ 55.38
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-bromophenyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of 5,5-bis(4-bromophenyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one (CID 11569628) is 5,5-bis(4-bromophenyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for 5,5-bis(4-bromophenyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for 5,5-bis(4-bromophenyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one is O=C1N(c2ccccc2)C(=S)NC1(c1ccc(Br)cc1)c1ccc(Br)cc1.
What is the InChIKey of 5,5-bis(4-bromophenyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one?
The InChIKey is QSODNAABVYLCPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14Br2N2OS/c22-16-10-6-14(7-11-16)21(15-8-12-17(23)13-9-15)19(26)25(20(27)24-21)18-4-2-1-3-5-18/h1-13H,(H,24,27).
What are the key properties of 5,5-bis(4-bromophenyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one?
5,5-bis(4-bromophenyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one has a molecular weight of 502.23 g/mol, XLogP of 5.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-bis(4-bromophenyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 11569628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).