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

C11H12N2O2S — CID 117208560

IUPAC4-hydroxy-3-(thiolan-3-yl)-1H-benzimidazol-2-one
SMILESO=c1[nH]c2cccc(O)c2n1C1CCSC1
InChIInChI=1S/C11H12N2O2S/c14-9-3-1-2-8-10(9)13(11(15)12-8)7-4-5-16-6-7/h1-3,7,14H,4-6H2,(H,12,15)
InChIKeyYCOAEMBPJRIHGV-UHFFFAOYSA-N
MW236.30 g/mol
LogP1.71
Rot. Bonds1

About 4-hydroxy-3-(thiolan-3-yl)-1H-benzimidazol-2-one

4-hydroxy-3-(thiolan-3-yl)-1H-benzimidazol-2-one (PubChem CID 117208560) has the molecular formula C11H12N2O2S and a molecular weight of 236.30 g/mol. Its IUPAC name is 4-hydroxy-3-(thiolan-3-yl)-1H-benzimidazol-2-one.

Molecular Properties

Compound Name4-hydroxy-3-(thiolan-3-yl)-1H-benzimidazol-2-one
PubChem CID117208560
Molecular FormulaC11H12N2O2S
Molecular Weight236.30 g/mol
Exact Mass236.06
IUPAC Name4-hydroxy-3-(thiolan-3-yl)-1H-benzimidazol-2-one
SMILESO=c1[nH]c2cccc(O)c2n1C1CCSC1
InChIInChI=1S/C11H12N2O2S/c14-9-3-1-2-8-10(9)13(11(15)12-8)7-4-5-16-6-7/h1-3,7,14H,4-6H2,(H,12,15)
InChIKeyYCOAEMBPJRIHGV-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

4-hydroxy-3-piperidin-4-yl-1H-benzimidazol-2-one
CID 84796017
4-hydroxy-3-(oxan-3-yl)-1H-benzimidazol-2-one
CID 117208712
6-hydroxy-3-(thiolan-3-yl)-1H-benzimidazol-2-one
CID 117207033
4-hydroxy-3-(1-methylpiperidin-3-yl)-1H-benzimidazol-2-one
CID 117208718
3-(1,1-dioxothian-3-yl)-4-hydroxy-1H-benzimidazol-2-one
CID 117208714
4-hydroxy-3-(thian-3-ylmethyl)-1H-benzimidazol-2-one
CID 117208927
7-fluoro-3-(thiolan-3-yl)-1H-benzimidazol-2-one
CID 117206134
4-bromo-3-cyclopropyl-1H-benzimidazol-2-one
CID 83843837
7-chloro-3-(thiolan-3-yl)-1H-quinazoline-2,4-dione
CID 117261485
5-methoxy-3-(thiolan-3-yl)-1H-benzimidazol-2-one
CID 117207767
3-(thiolan-3-yl)-8-(trifluoromethyl)-1H-quinazoline-2,4-dione
CID 117261758
4-fluoro-3-piperidin-3-yl-1H-benzimidazol-2-one
CID 84797339

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-(thiolan-3-yl)-1H-benzimidazol-2-one?
The IUPAC name of 4-hydroxy-3-(thiolan-3-yl)-1H-benzimidazol-2-one (CID 117208560) is 4-hydroxy-3-(thiolan-3-yl)-1H-benzimidazol-2-one.
What is the SMILES notation for 4-hydroxy-3-(thiolan-3-yl)-1H-benzimidazol-2-one?
The canonical SMILES for 4-hydroxy-3-(thiolan-3-yl)-1H-benzimidazol-2-one is O=c1[nH]c2cccc(O)c2n1C1CCSC1.
What is the InChIKey of 4-hydroxy-3-(thiolan-3-yl)-1H-benzimidazol-2-one?
The InChIKey is YCOAEMBPJRIHGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S/c14-9-3-1-2-8-10(9)13(11(15)12-8)7-4-5-16-6-7/h1-3,7,14H,4-6H2,(H,12,15).
What are the key properties of 4-hydroxy-3-(thiolan-3-yl)-1H-benzimidazol-2-one?
4-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 4-hydroxy-3-(thiolan-3-yl)-1H-benzimidazol-2-one is sourced from PubChem (CID 117208560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).