5-bromo-3-(5-hydroxy-2-sulfanylidene-1,3-dihydroimidazol-4-yl)indol-2-one

C11H6BrN3O2S — CID 950601

IUPAC5-bromo-3-(5-hydroxy-2-sulfanylidene-1,3-dihydroimidazol-4-yl)indol-2-one
SMILESO=C1N=c2ccc(Br)cc2=C1c1[nH]c(=S)[nH]c1O
InChIInChI=1S/C11H6BrN3O2S/c12-4-1-2-6-5(3-4)7(9(16)13-6)8-10(17)15-11(18)14-8/h1-3,17H,(H2,14,15,18)
InChIKeyUVXGZDLBKHHOSN-UHFFFAOYSA-N
MW324.16 g/mol
LogP0.90
Rot. Bonds1

About 5-bromo-3-(5-hydroxy-2-sulfanylidene-1,3-dihydroimidazol-4-yl)indol-2-one

5-bromo-3-(5-hydroxy-2-sulfanylidene-1,3-dihydroimidazol-4-yl)indol-2-one (PubChem CID 950601) has the molecular formula C11H6BrN3O2S and a molecular weight of 324.16 g/mol. Its IUPAC name is 5-bromo-3-(5-hydroxy-2-sulfanylidene-1,3-dihydroimidazol-4-yl)indol-2-one.

Molecular Properties

Compound Name5-bromo-3-(5-hydroxy-2-sulfanylidene-1,3-dihydroimidazol-4-yl)indol-2-one
PubChem CID950601
Molecular FormulaC11H6BrN3O2S
Molecular Weight324.16 g/mol
Exact Mass322.94
IUPAC Name5-bromo-3-(5-hydroxy-2-sulfanylidene-1,3-dihydroimidazol-4-yl)indol-2-one
SMILESO=C1N=c2ccc(Br)cc2=C1c1[nH]c(=S)[nH]c1O
InChIInChI=1S/C11H6BrN3O2S/c12-4-1-2-6-5(3-4)7(9(16)13-6)8-10(17)15-11(18)14-8/h1-3,17H,(H2,14,15,18)
InChIKeyUVXGZDLBKHHOSN-UHFFFAOYSA-N
XLogP0.90
TPSA81.24 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.16
LogP ≤ 50.90
H-Bond Donors ≤ 53
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-bromo-3-(5-hydroxy-2-sulfanylidene-1,3-dihydroimidazol-4-yl)indol-2-one?
The IUPAC name of 5-bromo-3-(5-hydroxy-2-sulfanylidene-1,3-dihydroimidazol-4-yl)indol-2-one (CID 950601) is 5-bromo-3-(5-hydroxy-2-sulfanylidene-1,3-dihydroimidazol-4-yl)indol-2-one.
What is the SMILES notation for 5-bromo-3-(5-hydroxy-2-sulfanylidene-1,3-dihydroimidazol-4-yl)indol-2-one?
The canonical SMILES for 5-bromo-3-(5-hydroxy-2-sulfanylidene-1,3-dihydroimidazol-4-yl)indol-2-one is O=C1N=c2ccc(Br)cc2=C1c1[nH]c(=S)[nH]c1O.
What is the InChIKey of 5-bromo-3-(5-hydroxy-2-sulfanylidene-1,3-dihydroimidazol-4-yl)indol-2-one?
The InChIKey is UVXGZDLBKHHOSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrN3O2S/c12-4-1-2-6-5(3-4)7(9(16)13-6)8-10(17)15-11(18)14-8/h1-3,17H,(H2,14,15,18).
What are the key properties of 5-bromo-3-(5-hydroxy-2-sulfanylidene-1,3-dihydroimidazol-4-yl)indol-2-one?
5-bromo-3-(5-hydroxy-2-sulfanylidene-1,3-dihydroimidazol-4-yl)indol-2-one has a molecular weight of 324.16 g/mol, XLogP of 0.90, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(5-hydroxy-2-sulfanylidene-1,3-dihydroimidazol-4-yl)indol-2-one is sourced from PubChem (CID 950601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).