3-hydroxy-6-(1H-imidazol-2-ylsulfanyl)-1,3-dihydroindol-2-one

C11H9N3O2S — CID 114001137

IUPAC3-hydroxy-6-(1H-imidazol-2-ylsulfanyl)-1,3-dihydroindol-2-one
SMILESO=C1Nc2cc(Sc3ncc[nH]3)ccc2C1O
InChIInChI=1S/C11H9N3O2S/c15-9-7-2-1-6(5-8(7)14-10(9)16)17-11-12-3-4-13-11/h1-5,9,15H,(H,12,13)(H,14,16)
InChIKeyDTNNBTIHDMBPDF-UHFFFAOYSA-N
MW247.28 g/mol
LogP1.55
Rot. Bonds2

About 3-hydroxy-6-(1H-imidazol-2-ylsulfanyl)-1,3-dihydroindol-2-one

3-hydroxy-6-(1H-imidazol-2-ylsulfanyl)-1,3-dihydroindol-2-one (PubChem CID 114001137) has the molecular formula C11H9N3O2S and a molecular weight of 247.28 g/mol. Its IUPAC name is 3-hydroxy-6-(1H-imidazol-2-ylsulfanyl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-hydroxy-6-(1H-imidazol-2-ylsulfanyl)-1,3-dihydroindol-2-one
PubChem CID114001137
Molecular FormulaC11H9N3O2S
Molecular Weight247.28 g/mol
Exact Mass247.04
IUPAC Name3-hydroxy-6-(1H-imidazol-2-ylsulfanyl)-1,3-dihydroindol-2-one
SMILESO=C1Nc2cc(Sc3ncc[nH]3)ccc2C1O
InChIInChI=1S/C11H9N3O2S/c15-9-7-2-1-6(5-8(7)14-10(9)16)17-11-12-3-4-13-11/h1-5,9,15H,(H,12,13)(H,14,16)
InChIKeyDTNNBTIHDMBPDF-UHFFFAOYSA-N
XLogP1.55
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.28
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-6-(1H-imidazol-2-ylsulfanyl)-1,3-dihydroindol-2-one?
The IUPAC name of 3-hydroxy-6-(1H-imidazol-2-ylsulfanyl)-1,3-dihydroindol-2-one (CID 114001137) is 3-hydroxy-6-(1H-imidazol-2-ylsulfanyl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-hydroxy-6-(1H-imidazol-2-ylsulfanyl)-1,3-dihydroindol-2-one?
The canonical SMILES for 3-hydroxy-6-(1H-imidazol-2-ylsulfanyl)-1,3-dihydroindol-2-one is O=C1Nc2cc(Sc3ncc[nH]3)ccc2C1O.
What is the InChIKey of 3-hydroxy-6-(1H-imidazol-2-ylsulfanyl)-1,3-dihydroindol-2-one?
The InChIKey is DTNNBTIHDMBPDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O2S/c15-9-7-2-1-6(5-8(7)14-10(9)16)17-11-12-3-4-13-11/h1-5,9,15H,(H,12,13)(H,14,16).
What are the key properties of 3-hydroxy-6-(1H-imidazol-2-ylsulfanyl)-1,3-dihydroindol-2-one?
3-hydroxy-6-(1H-imidazol-2-ylsulfanyl)-1,3-dihydroindol-2-one has a molecular weight of 247.28 g/mol, XLogP of 1.55, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-6-(1H-imidazol-2-ylsulfanyl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 114001137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).