5-(1-hydroxy-2-sulfanylethyl)-1,3-dihydrobenzimidazol-2-one

C9H10N2O2S — CID 116830041

IUPAC5-(1-hydroxy-2-sulfanylethyl)-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2ccc(C(O)CS)cc2[nH]1
InChIInChI=1S/C9H10N2O2S/c12-8(4-14)5-1-2-6-7(3-5)11-9(13)10-6/h1-3,8,12,14H,4H2,(H2,10,11,13)
InChIKeyHVASCVFCOGONLI-UHFFFAOYSA-N
MW210.26 g/mol
LogP0.82
Rot. Bonds2

About 5-(1-hydroxy-2-sulfanylethyl)-1,3-dihydrobenzimidazol-2-one

5-(1-hydroxy-2-sulfanylethyl)-1,3-dihydrobenzimidazol-2-one (PubChem CID 116830041) has the molecular formula C9H10N2O2S and a molecular weight of 210.26 g/mol. Its IUPAC name is 5-(1-hydroxy-2-sulfanylethyl)-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-(1-hydroxy-2-sulfanylethyl)-1,3-dihydrobenzimidazol-2-one
PubChem CID116830041
Molecular FormulaC9H10N2O2S
Molecular Weight210.26 g/mol
Exact Mass210.05
IUPAC Name5-(1-hydroxy-2-sulfanylethyl)-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2ccc(C(O)CS)cc2[nH]1
InChIInChI=1S/C9H10N2O2S/c12-8(4-14)5-1-2-6-7(3-5)11-9(13)10-6/h1-3,8,12,14H,4H2,(H2,10,11,13)
InChIKeyHVASCVFCOGONLI-UHFFFAOYSA-N
XLogP0.82
TPSA68.88 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.26
LogP ≤ 50.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

5-[1-hydroxy-2-(methylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 20613953
5-[1-(dimethylamino)-2-sulfanylethyl]-1,3-dihydrobenzimidazol-2-one
CID 116908844
5-(2,2-difluoro-1-hydroxyethyl)-1,3-dihydrobenzimidazol-2-one
CID 104632705
5-(1-hydroxy-2-thiophen-2-ylethyl)-1,3-dihydrobenzimidazol-2-one
CID 82174352
5-(1-hydroxypropan-2-yl)-1,3-dihydrobenzimidazol-2-one
CID 117283003
5-(1-amino-2-hydroxyethyl)-1,3-dihydrobenzimidazol-2-one
CID 83530993
5-(diaminomethyl)-1,3-dihydrobenzimidazol-2-one
CID 116939209
5-[hydroxy-(4-iodophenyl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 61088445
5-[cyclooctyl(hydroxy)methyl]-1,3-dihydrobenzimidazol-2-one
CID 65023133
6-(1-hydroxyoctyl)-1,4-dihydroquinoxaline-2,3-dione
CID 61089199
5-[cyclohexyl(hydroxy)methyl]-1,3-dihydrobenzimidazol-2-one
CID 61087315
5-(1-chloroethyl)-1,3-dihydrobenzimidazol-2-one
CID 61083756

Frequently Asked Questions

What is the IUPAC name of 5-(1-hydroxy-2-sulfanylethyl)-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-(1-hydroxy-2-sulfanylethyl)-1,3-dihydrobenzimidazol-2-one (CID 116830041) is 5-(1-hydroxy-2-sulfanylethyl)-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-(1-hydroxy-2-sulfanylethyl)-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-(1-hydroxy-2-sulfanylethyl)-1,3-dihydrobenzimidazol-2-one is O=c1[nH]c2ccc(C(O)CS)cc2[nH]1.
What is the InChIKey of 5-(1-hydroxy-2-sulfanylethyl)-1,3-dihydrobenzimidazol-2-one?
The InChIKey is HVASCVFCOGONLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2S/c12-8(4-14)5-1-2-6-7(3-5)11-9(13)10-6/h1-3,8,12,14H,4H2,(H2,10,11,13).
What are the key properties of 5-(1-hydroxy-2-sulfanylethyl)-1,3-dihydrobenzimidazol-2-one?
5-(1-hydroxy-2-sulfanylethyl)-1,3-dihydrobenzimidazol-2-one has a molecular weight of 210.26 g/mol, XLogP of 0.82, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-hydroxy-2-sulfanylethyl)-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 116830041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).