6-bromo-2-(3-methylphenyl)spiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione

C18H15BrN2O2S — CID 91177417

IUPAC6-bromo-2-(3-methylphenyl)spiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione
SMILESCc1cccc(C2CC3(NC(=O)NC3=O)c3cc(Br)ccc3S2)c1
InChIInChI=1S/C18H15BrN2O2S/c1-10-3-2-4-11(7-10)15-9-18(16(22)20-17(23)21-18)13-8-12(19)5-6-14(13)24-15/h2-8,15H,9H2,1H3,(H2,20,21,22,23)
InChIKeyRPFOSYMIFXGDTF-UHFFFAOYSA-N
MW403.30 g/mol
LogP4.03
Rot. Bonds1

About 6-bromo-2-(3-methylphenyl)spiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione

6-bromo-2-(3-methylphenyl)spiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione (PubChem CID 91177417) has the molecular formula C18H15BrN2O2S and a molecular weight of 403.30 g/mol. Its IUPAC name is 6-bromo-2-(3-methylphenyl)spiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione.

Molecular Properties

Compound Name6-bromo-2-(3-methylphenyl)spiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione
PubChem CID91177417
Molecular FormulaC18H15BrN2O2S
Molecular Weight403.30 g/mol
Exact Mass402.00
IUPAC Name6-bromo-2-(3-methylphenyl)spiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione
SMILESCc1cccc(C2CC3(NC(=O)NC3=O)c3cc(Br)ccc3S2)c1
InChIInChI=1S/C18H15BrN2O2S/c1-10-3-2-4-11(7-10)15-9-18(16(22)20-17(23)21-18)13-8-12(19)5-6-14(13)24-15/h2-8,15H,9H2,1H3,(H2,20,21,22,23)
InChIKeyRPFOSYMIFXGDTF-UHFFFAOYSA-N
XLogP4.03
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.30
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(3-methylphenyl)spiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione?
The IUPAC name of 6-bromo-2-(3-methylphenyl)spiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione (CID 91177417) is 6-bromo-2-(3-methylphenyl)spiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione.
What is the SMILES notation for 6-bromo-2-(3-methylphenyl)spiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione?
The canonical SMILES for 6-bromo-2-(3-methylphenyl)spiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione is Cc1cccc(C2CC3(NC(=O)NC3=O)c3cc(Br)ccc3S2)c1.
What is the InChIKey of 6-bromo-2-(3-methylphenyl)spiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione?
The InChIKey is RPFOSYMIFXGDTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN2O2S/c1-10-3-2-4-11(7-10)15-9-18(16(22)20-17(23)21-18)13-8-12(19)5-6-14(13)24-15/h2-8,15H,9H2,1H3,(H2,20,21,22,23).
What are the key properties of 6-bromo-2-(3-methylphenyl)spiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione?
6-bromo-2-(3-methylphenyl)spiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione has a molecular weight of 403.30 g/mol, XLogP of 4.03, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(3-methylphenyl)spiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 91177417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).