4,5-bis(phenylsulfanyl)imidazol-2-one

C15H10N2OS2 — CID 67701100

IUPAC4,5-bis(phenylsulfanyl)imidazol-2-one
SMILESO=C1N=C(Sc2ccccc2)C(Sc2ccccc2)=N1
InChIInChI=1S/C15H10N2OS2/c18-15-16-13(19-11-7-3-1-4-8-11)14(17-15)20-12-9-5-2-6-10-12/h1-10H
InChIKeyIJMMYVSOMHEDGS-UHFFFAOYSA-N
MW298.39 g/mol
LogP4.50
Rot. Bonds2

About 4,5-bis(phenylsulfanyl)imidazol-2-one

4,5-bis(phenylsulfanyl)imidazol-2-one (PubChem CID 67701100) has the molecular formula C15H10N2OS2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 4,5-bis(phenylsulfanyl)imidazol-2-one.

Molecular Properties

Compound Name4,5-bis(phenylsulfanyl)imidazol-2-one
PubChem CID67701100
Molecular FormulaC15H10N2OS2
Molecular Weight298.39 g/mol
Exact Mass298.02
IUPAC Name4,5-bis(phenylsulfanyl)imidazol-2-one
SMILESO=C1N=C(Sc2ccccc2)C(Sc2ccccc2)=N1
InChIInChI=1S/C15H10N2OS2/c18-15-16-13(19-11-7-3-1-4-8-11)14(17-15)20-12-9-5-2-6-10-12/h1-10H
InChIKeyIJMMYVSOMHEDGS-UHFFFAOYSA-N
XLogP4.50
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-bis(phenylsulfanyl)imidazol-2-one?
The IUPAC name of 4,5-bis(phenylsulfanyl)imidazol-2-one (CID 67701100) is 4,5-bis(phenylsulfanyl)imidazol-2-one.
What is the SMILES notation for 4,5-bis(phenylsulfanyl)imidazol-2-one?
The canonical SMILES for 4,5-bis(phenylsulfanyl)imidazol-2-one is O=C1N=C(Sc2ccccc2)C(Sc2ccccc2)=N1.
What is the InChIKey of 4,5-bis(phenylsulfanyl)imidazol-2-one?
The InChIKey is IJMMYVSOMHEDGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2OS2/c18-15-16-13(19-11-7-3-1-4-8-11)14(17-15)20-12-9-5-2-6-10-12/h1-10H.
What are the key properties of 4,5-bis(phenylsulfanyl)imidazol-2-one?
4,5-bis(phenylsulfanyl)imidazol-2-one has a molecular weight of 298.39 g/mol, XLogP of 4.50, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(phenylsulfanyl)imidazol-2-one is sourced from PubChem (CID 67701100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).