6-bromo-2-methyl-2-(pyridin-3-ylmethyl)spiro[3H-chromene-4,5'-imidazolidine]-2',4'-dione

C18H16BrN3O3 — CID 67234942

IUPAC6-bromo-2-methyl-2-(pyridin-3-ylmethyl)spiro[3H-chromene-4,5'-imidazolidine]-2',4'-dione
SMILESCC1(Cc2cccnc2)CC2(NC(=O)NC2=O)c2cc(Br)ccc2O1
InChIInChI=1S/C18H16BrN3O3/c1-17(8-11-3-2-6-20-9-11)10-18(15(23)21-16(24)22-18)13-7-12(19)4-5-14(13)25-17/h2-7,9H,8,10H2,1H3,(H2,21,22,23,24)
InChIKeyQJCPJENZBQHRLW-UHFFFAOYSA-N
MW402.25 g/mol
LogP2.66
Rot. Bonds2

About 6-bromo-2-methyl-2-(pyridin-3-ylmethyl)spiro[3H-chromene-4,5'-imidazolidine]-2',4'-dione

6-bromo-2-methyl-2-(pyridin-3-ylmethyl)spiro[3H-chromene-4,5'-imidazolidine]-2',4'-dione (PubChem CID 67234942) has the molecular formula C18H16BrN3O3 and a molecular weight of 402.25 g/mol. Its IUPAC name is 6-bromo-2-methyl-2-(pyridin-3-ylmethyl)spiro[3H-chromene-4,5'-imidazolidine]-2',4'-dione.

Molecular Properties

Compound Name6-bromo-2-methyl-2-(pyridin-3-ylmethyl)spiro[3H-chromene-4,5'-imidazolidine]-2',4'-dione
PubChem CID67234942
Molecular FormulaC18H16BrN3O3
Molecular Weight402.25 g/mol
Exact Mass401.04
IUPAC Name6-bromo-2-methyl-2-(pyridin-3-ylmethyl)spiro[3H-chromene-4,5'-imidazolidine]-2',4'-dione
SMILESCC1(Cc2cccnc2)CC2(NC(=O)NC2=O)c2cc(Br)ccc2O1
InChIInChI=1S/C18H16BrN3O3/c1-17(8-11-3-2-6-20-9-11)10-18(15(23)21-16(24)22-18)13-7-12(19)4-5-14(13)25-17/h2-7,9H,8,10H2,1H3,(H2,21,22,23,24)
InChIKeyQJCPJENZBQHRLW-UHFFFAOYSA-N
XLogP2.66
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.25
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-methyl-2-(pyridin-3-ylmethyl)spiro[3H-chromene-4,5'-imidazolidine]-2',4'-dione?
The IUPAC name of 6-bromo-2-methyl-2-(pyridin-3-ylmethyl)spiro[3H-chromene-4,5'-imidazolidine]-2',4'-dione (CID 67234942) is 6-bromo-2-methyl-2-(pyridin-3-ylmethyl)spiro[3H-chromene-4,5'-imidazolidine]-2',4'-dione.
What is the SMILES notation for 6-bromo-2-methyl-2-(pyridin-3-ylmethyl)spiro[3H-chromene-4,5'-imidazolidine]-2',4'-dione?
The canonical SMILES for 6-bromo-2-methyl-2-(pyridin-3-ylmethyl)spiro[3H-chromene-4,5'-imidazolidine]-2',4'-dione is CC1(Cc2cccnc2)CC2(NC(=O)NC2=O)c2cc(Br)ccc2O1.
What is the InChIKey of 6-bromo-2-methyl-2-(pyridin-3-ylmethyl)spiro[3H-chromene-4,5'-imidazolidine]-2',4'-dione?
The InChIKey is QJCPJENZBQHRLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrN3O3/c1-17(8-11-3-2-6-20-9-11)10-18(15(23)21-16(24)22-18)13-7-12(19)4-5-14(13)25-17/h2-7,9H,8,10H2,1H3,(H2,21,22,23,24).
What are the key properties of 6-bromo-2-methyl-2-(pyridin-3-ylmethyl)spiro[3H-chromene-4,5'-imidazolidine]-2',4'-dione?
6-bromo-2-methyl-2-(pyridin-3-ylmethyl)spiro[3H-chromene-4,5'-imidazolidine]-2',4'-dione has a molecular weight of 402.25 g/mol, XLogP of 2.66, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-methyl-2-(pyridin-3-ylmethyl)spiro[3H-chromene-4,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 67234942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).