4-hydroxy-3-thiophen-3-yl-1H-imidazol-2-one

C7H6N2O2S — CID 91425080

IUPAC4-hydroxy-3-thiophen-3-yl-1H-imidazol-2-one
SMILESO=c1[nH]cc(O)n1-c1ccsc1
InChIInChI=1S/C7H6N2O2S/c10-6-3-8-7(11)9(6)5-1-2-12-4-5/h1-4,10H,(H,8,11)
InChIKeyXFJKVBCAAFJXDR-UHFFFAOYSA-N
MW182.20 g/mol
LogP0.93
Rot. Bonds1

About 4-hydroxy-3-thiophen-3-yl-1H-imidazol-2-one

4-hydroxy-3-thiophen-3-yl-1H-imidazol-2-one (PubChem CID 91425080) has the molecular formula C7H6N2O2S and a molecular weight of 182.20 g/mol. Its IUPAC name is 4-hydroxy-3-thiophen-3-yl-1H-imidazol-2-one.

Molecular Properties

Compound Name4-hydroxy-3-thiophen-3-yl-1H-imidazol-2-one
PubChem CID91425080
Molecular FormulaC7H6N2O2S
Molecular Weight182.20 g/mol
Exact Mass182.01
IUPAC Name4-hydroxy-3-thiophen-3-yl-1H-imidazol-2-one
SMILESO=c1[nH]cc(O)n1-c1ccsc1
InChIInChI=1S/C7H6N2O2S/c10-6-3-8-7(11)9(6)5-1-2-12-4-5/h1-4,10H,(H,8,11)
InChIKeyXFJKVBCAAFJXDR-UHFFFAOYSA-N
XLogP0.93
TPSA58.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.20
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(Thiophen-3-yl)urea
CID 19072905
3-(Thien-3-yl)imidazolidine-2,4-dione
CID 102323004
1-Propyl-3-thiophen-3-ylurea
CID 58748929
1-Thiophen-3-yl-3-(2,2,2-trifluoroethyl)urea
CID 115749797
1-(2,2-Difluoroethyl)-1-methyl-3-thiophen-3-ylurea
CID 124291728
1-(1-Fluoropropan-2-yl)-3-thiophen-3-ylurea
CID 130657529
1-Butyl-3-thiophen-3-ylurea
CID 58748927
1-Pentyl-3-thiophen-3-ylurea
CID 58748938
3-Thiophen-3-yl-1,6-dihydropyrimidin-2-one
CID 68152105
3-Thiophen-3-yl-1,4-dihydropyrimidin-2-one
CID 68152106
N-thiophen-3-ylpiperazine-1-carboxamide
CID 89559089
1-Thiophen-3-ylimidazolidin-2-one
CID 115370757

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-thiophen-3-yl-1H-imidazol-2-one?
The IUPAC name of 4-hydroxy-3-thiophen-3-yl-1H-imidazol-2-one (CID 91425080) is 4-hydroxy-3-thiophen-3-yl-1H-imidazol-2-one.
What is the SMILES notation for 4-hydroxy-3-thiophen-3-yl-1H-imidazol-2-one?
The canonical SMILES for 4-hydroxy-3-thiophen-3-yl-1H-imidazol-2-one is O=c1[nH]cc(O)n1-c1ccsc1.
What is the InChIKey of 4-hydroxy-3-thiophen-3-yl-1H-imidazol-2-one?
The InChIKey is XFJKVBCAAFJXDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O2S/c10-6-3-8-7(11)9(6)5-1-2-12-4-5/h1-4,10H,(H,8,11).
What are the key properties of 4-hydroxy-3-thiophen-3-yl-1H-imidazol-2-one?
4-hydroxy-3-thiophen-3-yl-1H-imidazol-2-one has a molecular weight of 182.20 g/mol, XLogP of 0.93, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-thiophen-3-yl-1H-imidazol-2-one is sourced from PubChem (CID 91425080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).