6-hydroxy-3-(thiolan-3-yl)-1H-benzimidazol-2-one

C11H12N2O2S — CID 117207033

IUPAC6-hydroxy-3-(thiolan-3-yl)-1H-benzimidazol-2-one
SMILESO=c1[nH]c2cc(O)ccc2n1C1CCSC1
InChIInChI=1S/C11H12N2O2S/c14-8-1-2-10-9(5-8)12-11(15)13(10)7-3-4-16-6-7/h1-2,5,7,14H,3-4,6H2,(H,12,15)
InChIKeyOMUYQOOKVFZPOU-UHFFFAOYSA-N
MW236.30 g/mol
LogP1.71
Rot. Bonds1

About 6-hydroxy-3-(thiolan-3-yl)-1H-benzimidazol-2-one

6-hydroxy-3-(thiolan-3-yl)-1H-benzimidazol-2-one (PubChem CID 117207033) has the molecular formula C11H12N2O2S and a molecular weight of 236.30 g/mol. Its IUPAC name is 6-hydroxy-3-(thiolan-3-yl)-1H-benzimidazol-2-one.

Molecular Properties

Compound Name6-hydroxy-3-(thiolan-3-yl)-1H-benzimidazol-2-one
PubChem CID117207033
Molecular FormulaC11H12N2O2S
Molecular Weight236.30 g/mol
Exact Mass236.06
IUPAC Name6-hydroxy-3-(thiolan-3-yl)-1H-benzimidazol-2-one
SMILESO=c1[nH]c2cc(O)ccc2n1C1CCSC1
InChIInChI=1S/C11H12N2O2S/c14-8-1-2-10-9(5-8)12-11(15)13(10)7-3-4-16-6-7/h1-2,5,7,14H,3-4,6H2,(H,12,15)
InChIKeyOMUYQOOKVFZPOU-UHFFFAOYSA-N
XLogP1.71
TPSA58.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-hydroxy-3-piperidin-4-yl-1H-benzimidazol-2-one
CID 83415288
3-(1,1-dioxothian-4-yl)-6-hydroxy-1H-benzimidazol-2-one
CID 117207061
4-hydroxy-3-(thiolan-3-yl)-1H-benzimidazol-2-one
CID 117208560
5-methoxy-3-(thiolan-3-yl)-1H-benzimidazol-2-one
CID 117207767
7-chloro-3-(thiolan-3-yl)-1H-quinazoline-2,4-dione
CID 117261485
7-fluoro-3-(thiolan-3-yl)-1H-benzimidazol-2-one
CID 117206134
3-cyclopropyl-7-hydroxy-1H-quinazoline-2,4-dione
CID 117261706
5-methoxy-3-(thian-3-yl)-1H-benzimidazol-2-one
CID 117207920
3-cyclopropyl-6-(hydroxymethyl)-1H-benzimidazol-2-one
CID 84672284
3-(1,1-dioxothiolan-3-yl)-5-hydroxy-1H-benzimidazol-2-one
CID 117207764
5-hydroxy-3-(1-propan-2-ylpiperidin-4-yl)-1H-benzimidazol-2-one
CID 117207805
7-hydroxy-3-(oxan-4-yl)-1H-quinazoline-2,4-dione
CID 117261529

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-3-(thiolan-3-yl)-1H-benzimidazol-2-one?
The IUPAC name of 6-hydroxy-3-(thiolan-3-yl)-1H-benzimidazol-2-one (CID 117207033) is 6-hydroxy-3-(thiolan-3-yl)-1H-benzimidazol-2-one.
What is the SMILES notation for 6-hydroxy-3-(thiolan-3-yl)-1H-benzimidazol-2-one?
The canonical SMILES for 6-hydroxy-3-(thiolan-3-yl)-1H-benzimidazol-2-one is O=c1[nH]c2cc(O)ccc2n1C1CCSC1.
What is the InChIKey of 6-hydroxy-3-(thiolan-3-yl)-1H-benzimidazol-2-one?
The InChIKey is OMUYQOOKVFZPOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S/c14-8-1-2-10-9(5-8)12-11(15)13(10)7-3-4-16-6-7/h1-2,5,7,14H,3-4,6H2,(H,12,15).
What are the key properties of 6-hydroxy-3-(thiolan-3-yl)-1H-benzimidazol-2-one?
6-hydroxy-3-(thiolan-3-yl)-1H-benzimidazol-2-one has a molecular weight of 236.30 g/mol, XLogP of 1.71, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-3-(thiolan-3-yl)-1H-benzimidazol-2-one is sourced from PubChem (CID 117207033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).