spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione

C10H10N2O2S — CID 3870362

IUPACspiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione
SMILESO=C1NC(=O)C2(CCCc3sccc32)N1
InChIInChI=1S/C10H10N2O2S/c13-8-10(12-9(14)11-8)4-1-2-7-6(10)3-5-15-7/h3,5H,1-2,4H2,(H2,11,12,13,14)
InChIKeyCWFRYKWJIHQOFY-UHFFFAOYSA-N
MW222.27 g/mol
LogP1.12
Rot. Bonds

About spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione

spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione (PubChem CID 3870362) has the molecular formula C10H10N2O2S and a molecular weight of 222.27 g/mol. Its IUPAC name is spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione.

Molecular Properties

Compound Namespiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione
PubChem CID3870362
Molecular FormulaC10H10N2O2S
Molecular Weight222.27 g/mol
Exact Mass222.05
IUPAC Namespiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione
SMILESO=C1NC(=O)C2(CCCc3sccc32)N1
InChIInChI=1S/C10H10N2O2S/c13-8-10(12-9(14)11-8)4-1-2-7-6(10)3-5-15-7/h3,5H,1-2,4H2,(H2,11,12,13,14)
InChIKeyCWFRYKWJIHQOFY-UHFFFAOYSA-N
XLogP1.12
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione 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

5-Methyl-5-(thiophen-2-yl)imidazolidine-2,4-dione
CID 233530
2-(2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl)acetamide
CID 4826065
2-{2',5'-dioxo-6,7-dihydro-5H-spiro[1-benzothiophene-4,4'-imidazolidin]-1'-yl}acetonitrile
CID 16316073
Thiantoin
CID 31325
2-(2-(2',5'-Dioxo-6,7-dihydro-5H-spiro[benzo[b]thiophene-4,4'-imidazolidin]-1'-yl)acetamido)-N,N-dimethylacetamide
CID 16326468
N-methyl-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 16309160
N-benzyl-2-(2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl)-N-methylacetamide
CID 4781968
2-{6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl}-N-[(thiophen-2-yl)methyl]acetamide
CID 16295980
4-(4-Cyclohexylbutyl)-4-(thiophen-2-yl)-4H-imidazole-2,5-diol
CID 46340
4-(2-Cyclohexylethyl)-4-(thiophen-2-yl)-4H-imidazole-2,5-diol
CID 46341
N-butyl-2-(2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl)acetamide
CID 17396573
5-Propyl-5-thiophen-3-ylimidazolidine-2,4-dione
CID 268913

Frequently Asked Questions

What is the IUPAC name of spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione?
The IUPAC name of spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione (CID 3870362) is spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione.
What is the SMILES notation for spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione?
The canonical SMILES for spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione is O=C1NC(=O)C2(CCCc3sccc32)N1.
What is the InChIKey of spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione?
The InChIKey is CWFRYKWJIHQOFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2S/c13-8-10(12-9(14)11-8)4-1-2-7-6(10)3-5-15-7/h3,5H,1-2,4H2,(H2,11,12,13,14).
What are the key properties of spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione?
spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione has a molecular weight of 222.27 g/mol, XLogP of 1.12, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 3870362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).