6-bromo-2,2-dimethyl-3H-chromen-4-one;6-bromo-2,2-dimethylspiro[3H-chromene-4,5'-imidazolidine]-2',4'-dione;formamide

C25H27Br2N3O6 — CID 161148384

IUPAC6-bromo-2,2-dimethyl-3H-chromen-4-one;6-bromo-2,2-dimethylspiro[3H-chromene-4,5'-imidazolidine]-2',4'-dione;formamide
SMILESCC1(C)CC(=O)c2cc(Br)ccc2O1.CC1(C)CC2(NC(=O)NC2=O)c2cc(Br)ccc2O1.NC=O
InChIInChI=1S/C13H13BrN2O3.C11H11BrO2.CH3NO/c1-12(2)6-13(10(17)15-11(18)16-13)8-5-7(14)3-4-9(8)19-12;1-11(2)6-9(13)8-5-7(12)3-4-10(8)14-11;2-1-3/h3-5H,6H2,1-2H3,(H2,15,16,17,18);3-5H,6H2,1-2H3;1H,(H2,2,3)
InChIKeyUOIXGOTWACRARD-UHFFFAOYSA-N
MW625.31 g/mol
LogP4.34
Rot. Bonds

About 6-bromo-2,2-dimethyl-3H-chromen-4-one;6-bromo-2,2-dimethylspiro[3H-chromene-4,5'-imidazolidine]-2',4'-dione;formamide

6-bromo-2,2-dimethyl-3H-chromen-4-one;6-bromo-2,2-dimethylspiro[3H-chromene-4,5'-imidazolidine]-2',4'-dione;formamide (PubChem CID 161148384) has the molecular formula C25H27Br2N3O6 and a molecular weight of 625.31 g/mol. Its IUPAC name is 6-bromo-2,2-dimethyl-3H-chromen-4-one;6-bromo-2,2-dimethylspiro[3H-chromene-4,5'-imidazolidine]-2',4'-dione;formamide.

Molecular Properties

Compound Name6-bromo-2,2-dimethyl-3H-chromen-4-one;6-bromo-2,2-dimethylspiro[3H-chromene-4,5'-imidazolidine]-2',4'-dione;formamide
PubChem CID161148384
Molecular FormulaC25H27Br2N3O6
Molecular Weight625.31 g/mol
Exact Mass623.03
IUPAC Name6-bromo-2,2-dimethyl-3H-chromen-4-one;6-bromo-2,2-dimethylspiro[3H-chromene-4,5'-imidazolidine]-2',4'-dione;formamide
SMILESCC1(C)CC(=O)c2cc(Br)ccc2O1.CC1(C)CC2(NC(=O)NC2=O)c2cc(Br)ccc2O1.NC=O
InChIInChI=1S/C13H13BrN2O3.C11H11BrO2.CH3NO/c1-12(2)6-13(10(17)15-11(18)16-13)8-5-7(14)3-4-9(8)19-12;1-11(2)6-9(13)8-5-7(12)3-4-10(8)14-11;2-1-3/h3-5H,6H2,1-2H3,(H2,15,16,17,18);3-5H,6H2,1-2H3;1H,(H2,2,3)
InChIKeyUOIXGOTWACRARD-UHFFFAOYSA-N
XLogP4.34
TPSA136.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500625.31
LogP ≤ 54.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

CID 67236589
CID 67236589
CID 159596332
CID 159596332
6-bromo-2-methyl-2-(pyridin-3-ylmethyl)spiro[3H-chromene-4,5'-imidazolidine]-2',4'-dione
CID 67234942
CID 158592820
CID 158592820
6-bromo-1',1',5',5'-tetramethylspiro[3H-chromene-2,3'-cyclohexane]-4-one
CID 114674411
CID 58424801
CID 58424801
6-fluoro-2,2-dimethyl-2'-methyliminospiro[3H-chromene-4,5'-imidazolidine]-4'-one
CID 135412750
(3R)-5-bromospiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 154872521
6-bromo-2-methyl-2-(2-phenylethyl)-3H-chromen-4-one
CID 114674210
2,2-diethyl-6-fluorospiro[3H-chromene-4,5'-imidazolidine]-2',4'-dione
CID 13036729
5-(2,2-dimethyl-3H-1-benzofuran-5-yl)-5-methylimidazolidine-2,4-dione
CID 66598407
5-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)furan-2-carbaldehyde
CID 169333699

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2,2-dimethyl-3H-chromen-4-one;6-bromo-2,2-dimethylspiro[3H-chromene-4,5'-imidazolidine]-2',4'-dione;formamide?
The IUPAC name of 6-bromo-2,2-dimethyl-3H-chromen-4-one;6-bromo-2,2-dimethylspiro[3H-chromene-4,5'-imidazolidine]-2',4'-dione;formamide (CID 161148384) is 6-bromo-2,2-dimethyl-3H-chromen-4-one;6-bromo-2,2-dimethylspiro[3H-chromene-4,5'-imidazolidine]-2',4'-dione;formamide.
What is the SMILES notation for 6-bromo-2,2-dimethyl-3H-chromen-4-one;6-bromo-2,2-dimethylspiro[3H-chromene-4,5'-imidazolidine]-2',4'-dione;formamide?
The canonical SMILES for 6-bromo-2,2-dimethyl-3H-chromen-4-one;6-bromo-2,2-dimethylspiro[3H-chromene-4,5'-imidazolidine]-2',4'-dione;formamide is CC1(C)CC(=O)c2cc(Br)ccc2O1.CC1(C)CC2(NC(=O)NC2=O)c2cc(Br)ccc2O1.NC=O.
What is the InChIKey of 6-bromo-2,2-dimethyl-3H-chromen-4-one;6-bromo-2,2-dimethylspiro[3H-chromene-4,5'-imidazolidine]-2',4'-dione;formamide?
The InChIKey is UOIXGOTWACRARD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O3.C11H11BrO2.CH3NO/c1-12(2)6-13(10(17)15-11(18)16-13)8-5-7(14)3-4-9(8)19-12;1-11(2)6-9(13)8-5-7(12)3-4-10(8)14-11;2-1-3/h3-5H,6H2,1-2H3,(H2,15,16,17,18);3-5H,6H2,1-2H3;1H,(H2,2,3).
What are the key properties of 6-bromo-2,2-dimethyl-3H-chromen-4-one;6-bromo-2,2-dimethylspiro[3H-chromene-4,5'-imidazolidine]-2',4'-dione;formamide?
6-bromo-2,2-dimethyl-3H-chromen-4-one;6-bromo-2,2-dimethylspiro[3H-chromene-4,5'-imidazolidine]-2',4'-dione;formamide has a molecular weight of 625.31 g/mol, XLogP of 4.34, 0 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2,2-dimethyl-3H-chromen-4-one;6-bromo-2,2-dimethylspiro[3H-chromene-4,5'-imidazolidine]-2',4'-dione;formamide is sourced from PubChem (CID 161148384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).