3-[3-(4-fluorophenyl)-4-hydroxy-2-sulfanylidene-1H-imidazol-5-yl]indol-2-one

C17H10FN3O2S — CID 157022031

IUPAC3-[3-(4-fluorophenyl)-4-hydroxy-2-sulfanylidene-1H-imidazol-5-yl]indol-2-one
SMILESO=C1N=c2ccccc2=C1c1[nH]c(=S)n(-c2ccc(F)cc2)c1O
InChIInChI=1S/C17H10FN3O2S/c18-9-5-7-10(8-6-9)21-16(23)14(20-17(21)24)13-11-3-1-2-4-12(11)19-15(13)22/h1-8,23H,(H,20,24)
InChIKeyLRPVXUJHDBXSLZ-UHFFFAOYSA-N
MW339.35 g/mol
LogP1.74
Rot. Bonds2

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

3-[3-(4-fluorophenyl)-4-hydroxy-2-sulfanylidene-1H-imidazol-5-yl]indol-2-one (PubChem CID 157022031) has the molecular formula C17H10FN3O2S and a molecular weight of 339.35 g/mol. Its IUPAC name is 3-[3-(4-fluorophenyl)-4-hydroxy-2-sulfanylidene-1H-imidazol-5-yl]indol-2-one.

Molecular Properties

Compound Name3-[3-(4-fluorophenyl)-4-hydroxy-2-sulfanylidene-1H-imidazol-5-yl]indol-2-one
PubChem CID157022031
Molecular FormulaC17H10FN3O2S
Molecular Weight339.35 g/mol
Exact Mass339.05
IUPAC Name3-[3-(4-fluorophenyl)-4-hydroxy-2-sulfanylidene-1H-imidazol-5-yl]indol-2-one
SMILESO=C1N=c2ccccc2=C1c1[nH]c(=S)n(-c2ccc(F)cc2)c1O
InChIInChI=1S/C17H10FN3O2S/c18-9-5-7-10(8-6-9)21-16(23)14(20-17(21)24)13-11-3-1-2-4-12(11)19-15(13)22/h1-8,23H,(H,20,24)
InChIKeyLRPVXUJHDBXSLZ-UHFFFAOYSA-N
XLogP1.74
TPSA70.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

3-[3-(1,3-benzothiazol-2-yl)-4-hydroxy-2-sulfanylidene-1H-imidazol-5-yl]indol-2-one
CID 1296525
5-bromo-3-[4-hydroxy-3-(4-methoxyphenyl)-2-sulfanylidene-1H-imidazol-5-yl]indol-2-one
CID 3390134
5-(benzimidazol-2-ylidenemethyl)-1-(4-fluorophenyl)-6-hydroxy-2-sulfanylidenepyrimidin-4-one
CID 1390750
3-[3-(2-hydroxy-1H-indol-3-yl)-2H-isoindol-1-yl]indol-2-one
CID 142275362
6-hydroxy-5-(2-oxoindol-3-yl)-1H-pyrimidine-2,4-dione;hydrate
CID 135891515
1-(4-fluorophenyl)-6-hydroxy-5-[(E)-(2-phenylindol-3-ylidene)methyl]-2-sulfanylidenepyrimidin-4-one
CID 135420791
3-[3-(2-chlorophenyl)-4-hydroxy-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one
CID 1287047
3-[3-(2-ethylphenyl)-4-hydroxy-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one
CID 4515352
3-[4-hydroxy-5-(2-oxoindol-3-yl)-2-sulfanylidene-1,3-thiazol-3-yl]propanal
CID 169445189
1-(4-fluorophenyl)-5-[(4-fluorophenyl)iminomethyl]-6-hydroxy-2-sulfanylidenepyrimidin-4-one
CID 2844560
2-[4-hydroxy-5-(2-oxoindol-3-yl)-2-sulfanylidene-1,3-thiazol-3-yl]ethanesulfonic acid
CID 4515349
3-(4-hydroxy-3-phenyl-2-sulfanylidene-1,3-thiazol-5-yl)-5-methylindol-2-one
CID 1271404

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-fluorophenyl)-4-hydroxy-2-sulfanylidene-1H-imidazol-5-yl]indol-2-one?
The IUPAC name of 3-[3-(4-fluorophenyl)-4-hydroxy-2-sulfanylidene-1H-imidazol-5-yl]indol-2-one (CID 157022031) is 3-[3-(4-fluorophenyl)-4-hydroxy-2-sulfanylidene-1H-imidazol-5-yl]indol-2-one.
What is the SMILES notation for 3-[3-(4-fluorophenyl)-4-hydroxy-2-sulfanylidene-1H-imidazol-5-yl]indol-2-one?
The canonical SMILES for 3-[3-(4-fluorophenyl)-4-hydroxy-2-sulfanylidene-1H-imidazol-5-yl]indol-2-one is O=C1N=c2ccccc2=C1c1[nH]c(=S)n(-c2ccc(F)cc2)c1O.
What is the InChIKey of 3-[3-(4-fluorophenyl)-4-hydroxy-2-sulfanylidene-1H-imidazol-5-yl]indol-2-one?
The InChIKey is LRPVXUJHDBXSLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10FN3O2S/c18-9-5-7-10(8-6-9)21-16(23)14(20-17(21)24)13-11-3-1-2-4-12(11)19-15(13)22/h1-8,23H,(H,20,24).
What are the key properties of 3-[3-(4-fluorophenyl)-4-hydroxy-2-sulfanylidene-1H-imidazol-5-yl]indol-2-one?
3-[3-(4-fluorophenyl)-4-hydroxy-2-sulfanylidene-1H-imidazol-5-yl]indol-2-one has a molecular weight of 339.35 g/mol, XLogP of 1.74, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-fluorophenyl)-4-hydroxy-2-sulfanylidene-1H-imidazol-5-yl]indol-2-one is sourced from PubChem (CID 157022031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).