3-(4-hydroxy-3-phenyl-2-sulfanylidene-1H-imidazol-5-yl)indol-2-one

C17H11N3O2S — CID 704013

IUPAC3-(4-hydroxy-3-phenyl-2-sulfanylidene-1H-imidazol-5-yl)indol-2-one
SMILESO=C1N=c2ccccc2=C1c1[nH]c(=S)n(-c2ccccc2)c1O
InChIInChI=1S/C17H11N3O2S/c21-15-13(11-8-4-5-9-12(11)18-15)14-16(22)20(17(23)19-14)10-6-2-1-3-7-10/h1-9,22H,(H,19,23)
InChIKeyHVRORRUFOZMLJW-UHFFFAOYSA-N
MW321.36 g/mol
LogP1.60
Rot. Bonds2

About 3-(4-hydroxy-3-phenyl-2-sulfanylidene-1H-imidazol-5-yl)indol-2-one

3-(4-hydroxy-3-phenyl-2-sulfanylidene-1H-imidazol-5-yl)indol-2-one (PubChem CID 704013) has the molecular formula C17H11N3O2S and a molecular weight of 321.36 g/mol. Its IUPAC name is 3-(4-hydroxy-3-phenyl-2-sulfanylidene-1H-imidazol-5-yl)indol-2-one.

Molecular Properties

Compound Name3-(4-hydroxy-3-phenyl-2-sulfanylidene-1H-imidazol-5-yl)indol-2-one
PubChem CID704013
Molecular FormulaC17H11N3O2S
Molecular Weight321.36 g/mol
Exact Mass321.06
IUPAC Name3-(4-hydroxy-3-phenyl-2-sulfanylidene-1H-imidazol-5-yl)indol-2-one
SMILESO=C1N=c2ccccc2=C1c1[nH]c(=S)n(-c2ccccc2)c1O
InChIInChI=1S/C17H11N3O2S/c21-15-13(11-8-4-5-9-12(11)18-15)14-16(22)20(17(23)19-14)10-6-2-1-3-7-10/h1-9,22H,(H,19,23)
InChIKeyHVRORRUFOZMLJW-UHFFFAOYSA-N
XLogP1.60
TPSA70.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 3-(4-hydroxy-3-phenyl-2-sulfanylidene-1H-imidazol-5-yl)indol-2-one?
The IUPAC name of 3-(4-hydroxy-3-phenyl-2-sulfanylidene-1H-imidazol-5-yl)indol-2-one (CID 704013) is 3-(4-hydroxy-3-phenyl-2-sulfanylidene-1H-imidazol-5-yl)indol-2-one.
What is the SMILES notation for 3-(4-hydroxy-3-phenyl-2-sulfanylidene-1H-imidazol-5-yl)indol-2-one?
The canonical SMILES for 3-(4-hydroxy-3-phenyl-2-sulfanylidene-1H-imidazol-5-yl)indol-2-one is O=C1N=c2ccccc2=C1c1[nH]c(=S)n(-c2ccccc2)c1O.
What is the InChIKey of 3-(4-hydroxy-3-phenyl-2-sulfanylidene-1H-imidazol-5-yl)indol-2-one?
The InChIKey is HVRORRUFOZMLJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N3O2S/c21-15-13(11-8-4-5-9-12(11)18-15)14-16(22)20(17(23)19-14)10-6-2-1-3-7-10/h1-9,22H,(H,19,23).
What are the key properties of 3-(4-hydroxy-3-phenyl-2-sulfanylidene-1H-imidazol-5-yl)indol-2-one?
3-(4-hydroxy-3-phenyl-2-sulfanylidene-1H-imidazol-5-yl)indol-2-one has a molecular weight of 321.36 g/mol, XLogP of 1.60, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxy-3-phenyl-2-sulfanylidene-1H-imidazol-5-yl)indol-2-one is sourced from PubChem (CID 704013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).