5-bromo-8-methoxyspiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione

C13H13BrN2O3 — CID 70229608

IUPAC5-bromo-8-methoxyspiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione
SMILESCOc1ccc(Br)c2c1CCC1(C2)NC(=O)NC1=O
InChIInChI=1S/C13H13BrN2O3/c1-19-10-3-2-9(14)8-6-13(5-4-7(8)10)11(17)15-12(18)16-13/h2-3H,4-6H2,1H3,(H2,15,16,17,18)
InChIKeyBDBRLXRQJQWSOC-UHFFFAOYSA-N
MW325.16 g/mol
LogP1.52
Rot. Bonds1

About 5-bromo-8-methoxyspiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione

5-bromo-8-methoxyspiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione (PubChem CID 70229608) has the molecular formula C13H13BrN2O3 and a molecular weight of 325.16 g/mol. Its IUPAC name is 5-bromo-8-methoxyspiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione.

Molecular Properties

Compound Name5-bromo-8-methoxyspiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione
PubChem CID70229608
Molecular FormulaC13H13BrN2O3
Molecular Weight325.16 g/mol
Exact Mass324.01
IUPAC Name5-bromo-8-methoxyspiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione
SMILESCOc1ccc(Br)c2c1CCC1(C2)NC(=O)NC1=O
InChIInChI=1S/C13H13BrN2O3/c1-19-10-3-2-9(14)8-6-13(5-4-7(8)10)11(17)15-12(18)16-13/h2-3H,4-6H2,1H3,(H2,15,16,17,18)
InChIKeyBDBRLXRQJQWSOC-UHFFFAOYSA-N
XLogP1.52
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.16
LogP ≤ 51.52
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 5-bromo-8-methoxyspiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione?
The IUPAC name of 5-bromo-8-methoxyspiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione (CID 70229608) is 5-bromo-8-methoxyspiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione.
What is the SMILES notation for 5-bromo-8-methoxyspiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione?
The canonical SMILES for 5-bromo-8-methoxyspiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione is COc1ccc(Br)c2c1CCC1(C2)NC(=O)NC1=O.
What is the InChIKey of 5-bromo-8-methoxyspiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione?
The InChIKey is BDBRLXRQJQWSOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O3/c1-19-10-3-2-9(14)8-6-13(5-4-7(8)10)11(17)15-12(18)16-13/h2-3H,4-6H2,1H3,(H2,15,16,17,18).
What are the key properties of 5-bromo-8-methoxyspiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione?
5-bromo-8-methoxyspiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione has a molecular weight of 325.16 g/mol, XLogP of 1.52, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-8-methoxyspiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 70229608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).