1'-bromo-3'-methylspiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione

C12H11BrN2O2 — CID 175506562

IUPAC1'-bromo-3'-methylspiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
SMILESCN1C(=O)N(Br)C2(CCc3ccccc32)C1=O
InChIInChI=1S/C12H11BrN2O2/c1-14-10(16)12(15(13)11(14)17)7-6-8-4-2-3-5-9(8)12/h2-5H,6-7H2,1H3
InChIKeyVFWNDTNDILCBGJ-UHFFFAOYSA-N
MW295.14 g/mol
LogP2.03
Rot. Bonds

About 1'-bromo-3'-methylspiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione

1'-bromo-3'-methylspiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione (PubChem CID 175506562) has the molecular formula C12H11BrN2O2 and a molecular weight of 295.14 g/mol. Its IUPAC name is 1'-bromo-3'-methylspiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione.

Molecular Properties

Compound Name1'-bromo-3'-methylspiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
PubChem CID175506562
Molecular FormulaC12H11BrN2O2
Molecular Weight295.14 g/mol
Exact Mass294.00
IUPAC Name1'-bromo-3'-methylspiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
SMILESCN1C(=O)N(Br)C2(CCc3ccccc32)C1=O
InChIInChI=1S/C12H11BrN2O2/c1-14-10(16)12(15(13)11(14)17)7-6-8-4-2-3-5-9(8)12/h2-5H,6-7H2,1H3
InChIKeyVFWNDTNDILCBGJ-UHFFFAOYSA-N
XLogP2.03
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.14
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1'-bromo-3'-methylspiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione?
The IUPAC name of 1'-bromo-3'-methylspiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione (CID 175506562) is 1'-bromo-3'-methylspiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione.
What is the SMILES notation for 1'-bromo-3'-methylspiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione?
The canonical SMILES for 1'-bromo-3'-methylspiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione is CN1C(=O)N(Br)C2(CCc3ccccc32)C1=O.
What is the InChIKey of 1'-bromo-3'-methylspiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione?
The InChIKey is VFWNDTNDILCBGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O2/c1-14-10(16)12(15(13)11(14)17)7-6-8-4-2-3-5-9(8)12/h2-5H,6-7H2,1H3.
What are the key properties of 1'-bromo-3'-methylspiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione?
1'-bromo-3'-methylspiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione has a molecular weight of 295.14 g/mol, XLogP of 2.03, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-bromo-3'-methylspiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 175506562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).