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

C11H8ClN3O2S — CID 107783381

IUPAC5-chloro-3-hydroxy-6-(1H-imidazol-2-ylsulfanyl)-1,3-dihydroindol-2-one
SMILESO=C1Nc2cc(Sc3ncc[nH]3)c(Cl)cc2C1O
InChIInChI=1S/C11H8ClN3O2S/c12-6-3-5-7(15-10(17)9(5)16)4-8(6)18-11-13-1-2-14-11/h1-4,9,16H,(H,13,14)(H,15,17)
InChIKeyIGNHOVAYZNTTHC-UHFFFAOYSA-N
MW281.72 g/mol
LogP2.20
Rot. Bonds2

About 5-chloro-3-hydroxy-6-(1H-imidazol-2-ylsulfanyl)-1,3-dihydroindol-2-one

5-chloro-3-hydroxy-6-(1H-imidazol-2-ylsulfanyl)-1,3-dihydroindol-2-one (PubChem CID 107783381) has the molecular formula C11H8ClN3O2S and a molecular weight of 281.72 g/mol. Its IUPAC name is 5-chloro-3-hydroxy-6-(1H-imidazol-2-ylsulfanyl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-chloro-3-hydroxy-6-(1H-imidazol-2-ylsulfanyl)-1,3-dihydroindol-2-one
PubChem CID107783381
Molecular FormulaC11H8ClN3O2S
Molecular Weight281.72 g/mol
Exact Mass281.00
IUPAC Name5-chloro-3-hydroxy-6-(1H-imidazol-2-ylsulfanyl)-1,3-dihydroindol-2-one
SMILESO=C1Nc2cc(Sc3ncc[nH]3)c(Cl)cc2C1O
InChIInChI=1S/C11H8ClN3O2S/c12-6-3-5-7(15-10(17)9(5)16)4-8(6)18-11-13-1-2-14-11/h1-4,9,16H,(H,13,14)(H,15,17)
InChIKeyIGNHOVAYZNTTHC-UHFFFAOYSA-N
XLogP2.20
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.72
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-hydroxy-6-(1H-imidazol-2-ylsulfanyl)-1,3-dihydroindol-2-one?
The IUPAC name of 5-chloro-3-hydroxy-6-(1H-imidazol-2-ylsulfanyl)-1,3-dihydroindol-2-one (CID 107783381) is 5-chloro-3-hydroxy-6-(1H-imidazol-2-ylsulfanyl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-chloro-3-hydroxy-6-(1H-imidazol-2-ylsulfanyl)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-chloro-3-hydroxy-6-(1H-imidazol-2-ylsulfanyl)-1,3-dihydroindol-2-one is O=C1Nc2cc(Sc3ncc[nH]3)c(Cl)cc2C1O.
What is the InChIKey of 5-chloro-3-hydroxy-6-(1H-imidazol-2-ylsulfanyl)-1,3-dihydroindol-2-one?
The InChIKey is IGNHOVAYZNTTHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN3O2S/c12-6-3-5-7(15-10(17)9(5)16)4-8(6)18-11-13-1-2-14-11/h1-4,9,16H,(H,13,14)(H,15,17).
What are the key properties of 5-chloro-3-hydroxy-6-(1H-imidazol-2-ylsulfanyl)-1,3-dihydroindol-2-one?
5-chloro-3-hydroxy-6-(1H-imidazol-2-ylsulfanyl)-1,3-dihydroindol-2-one has a molecular weight of 281.72 g/mol, XLogP of 2.20, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-hydroxy-6-(1H-imidazol-2-ylsulfanyl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 107783381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).