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

C11H7N3O3 — CID 3843472

IUPAC2-(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)indol-3-one
SMILESO=C1C(c2[nH]c(=O)[nH]c2O)=Nc2ccccc21
InChIInChI=1S/C11H7N3O3/c15-9-5-3-1-2-4-6(5)12-7(9)8-10(16)14-11(17)13-8/h1-4,16H,(H2,13,14,17)
InChIKeyHIUBHJCUIUYDJH-UHFFFAOYSA-N
MW229.19 g/mol
LogP0.73
Rot. Bonds1

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

2-(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)indol-3-one (PubChem CID 3843472) has the molecular formula C11H7N3O3 and a molecular weight of 229.19 g/mol. Its IUPAC name is 2-(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)indol-3-one.

Molecular Properties

Compound Name2-(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)indol-3-one
PubChem CID3843472
Molecular FormulaC11H7N3O3
Molecular Weight229.19 g/mol
Exact Mass229.05
IUPAC Name2-(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)indol-3-one
SMILESO=C1C(c2[nH]c(=O)[nH]c2O)=Nc2ccccc21
InChIInChI=1S/C11H7N3O3/c15-9-5-3-1-2-4-6(5)12-7(9)8-10(16)14-11(17)13-8/h1-4,16H,(H2,13,14,17)
InChIKeyHIUBHJCUIUYDJH-UHFFFAOYSA-N
XLogP0.73
TPSA98.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.19
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)indol-3-one?
The IUPAC name of 2-(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)indol-3-one (CID 3843472) is 2-(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)indol-3-one.
What is the SMILES notation for 2-(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)indol-3-one?
The canonical SMILES for 2-(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)indol-3-one is O=C1C(c2[nH]c(=O)[nH]c2O)=Nc2ccccc21.
What is the InChIKey of 2-(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)indol-3-one?
The InChIKey is HIUBHJCUIUYDJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N3O3/c15-9-5-3-1-2-4-6(5)12-7(9)8-10(16)14-11(17)13-8/h1-4,16H,(H2,13,14,17).
What are the key properties of 2-(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)indol-3-one?
2-(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)indol-3-one has a molecular weight of 229.19 g/mol, XLogP of 0.73, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)indol-3-one is sourced from PubChem (CID 3843472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).