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

C11H12N2O2S — CID 117206373

IUPAC7-hydroxy-3-(thiolan-2-yl)-1H-benzimidazol-2-one
SMILESO=c1[nH]c2c(O)cccc2n1C1CCCS1
InChIInChI=1S/C11H12N2O2S/c14-8-4-1-3-7-10(8)12-11(15)13(7)9-5-2-6-16-9/h1,3-4,9,14H,2,5-6H2,(H,12,15)
InChIKeyYDNWXVSLCQMMFH-UHFFFAOYSA-N
MW236.30 g/mol
LogP2.06
Rot. Bonds1

About 7-hydroxy-3-(thiolan-2-yl)-1H-benzimidazol-2-one

7-hydroxy-3-(thiolan-2-yl)-1H-benzimidazol-2-one (PubChem CID 117206373) has the molecular formula C11H12N2O2S and a molecular weight of 236.30 g/mol. Its IUPAC name is 7-hydroxy-3-(thiolan-2-yl)-1H-benzimidazol-2-one.

Molecular Properties

Compound Name7-hydroxy-3-(thiolan-2-yl)-1H-benzimidazol-2-one
PubChem CID117206373
Molecular FormulaC11H12N2O2S
Molecular Weight236.30 g/mol
Exact Mass236.06
IUPAC Name7-hydroxy-3-(thiolan-2-yl)-1H-benzimidazol-2-one
SMILESO=c1[nH]c2c(O)cccc2n1C1CCCS1
InChIInChI=1S/C11H12N2O2S/c14-8-4-1-3-7-10(8)12-11(15)13(7)9-5-2-6-16-9/h1,3-4,9,14H,2,5-6H2,(H,12,15)
InChIKeyYDNWXVSLCQMMFH-UHFFFAOYSA-N
XLogP2.06
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 ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 7-hydroxy-3-(thiolan-2-yl)-1H-benzimidazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(thiolan-2-yl)-7-(trifluoromethyl)-1H-benzimidazol-2-one
CID 117206333
7-hydroxy-3-(oxan-2-yl)-1H-benzimidazol-2-one
CID 117206419
7-hydroxy-3-(1-methylpyrrolidin-2-yl)-1H-benzimidazol-2-one
CID 117206376
4-fluoro-3-(thian-2-yl)-1H-benzimidazol-2-one
CID 117208788
7-methyl-3-(thiolan-2-ylmethyl)-1H-benzimidazol-2-one
CID 117206445
3-(thian-2-yl)-6-(trifluoromethyl)-1H-benzimidazol-2-one
CID 117207237
7-fluoro-3-(thiolan-3-yl)-1H-benzimidazol-2-one
CID 117206134
4-(4-bromo-2-oxo-3H-benzimidazol-1-yl)cyclohexane-1-carboxylic acid
CID 155679397
3-cyclobutyl-7-methoxy-1H-benzimidazol-2-one
CID 117206922
3-(thiolan-2-ylmethyl)-7-(trifluoromethyl)-1H-benzimidazol-2-one
CID 117206434
7-hydroxy-3-thiophen-2-yl-1H-benzimidazol-2-one
CID 117206617
7-chloro-3-(oxan-3-yl)-1H-benzimidazol-2-one
CID 117206304

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-3-(thiolan-2-yl)-1H-benzimidazol-2-one?
The IUPAC name of 7-hydroxy-3-(thiolan-2-yl)-1H-benzimidazol-2-one (CID 117206373) is 7-hydroxy-3-(thiolan-2-yl)-1H-benzimidazol-2-one.
What is the SMILES notation for 7-hydroxy-3-(thiolan-2-yl)-1H-benzimidazol-2-one?
The canonical SMILES for 7-hydroxy-3-(thiolan-2-yl)-1H-benzimidazol-2-one is O=c1[nH]c2c(O)cccc2n1C1CCCS1.
What is the InChIKey of 7-hydroxy-3-(thiolan-2-yl)-1H-benzimidazol-2-one?
The InChIKey is YDNWXVSLCQMMFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S/c14-8-4-1-3-7-10(8)12-11(15)13(7)9-5-2-6-16-9/h1,3-4,9,14H,2,5-6H2,(H,12,15).
What are the key properties of 7-hydroxy-3-(thiolan-2-yl)-1H-benzimidazol-2-one?
7-hydroxy-3-(thiolan-2-yl)-1H-benzimidazol-2-one has a molecular weight of 236.30 g/mol, XLogP of 2.06, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-3-(thiolan-2-yl)-1H-benzimidazol-2-one is sourced from PubChem (CID 117206373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).