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

C12H12ClN3O2 — CID 18449392

IUPAC5-amino-4-chloro-1'-methylspiro[1,3-dihydroindene-2,5'-imidazolidine]-2',4'-dione
SMILESCN1C(=O)NC(=O)C12Cc1ccc(N)c(Cl)c1C2
InChIInChI=1S/C12H12ClN3O2/c1-16-11(18)15-10(17)12(16)4-6-2-3-8(14)9(13)7(6)5-12/h2-3H,4-5,14H2,1H3,(H,15,17,18)
InChIKeyFWKHALUTMUOVMT-UHFFFAOYSA-N
MW265.70 g/mol
LogP0.94
Rot. Bonds

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

5-amino-4-chloro-1'-methylspiro[1,3-dihydroindene-2,5'-imidazolidine]-2',4'-dione (PubChem CID 18449392) has the molecular formula C12H12ClN3O2 and a molecular weight of 265.70 g/mol. Its IUPAC name is 5-amino-4-chloro-1'-methylspiro[1,3-dihydroindene-2,5'-imidazolidine]-2',4'-dione.

Molecular Properties

Compound Name5-amino-4-chloro-1'-methylspiro[1,3-dihydroindene-2,5'-imidazolidine]-2',4'-dione
PubChem CID18449392
Molecular FormulaC12H12ClN3O2
Molecular Weight265.70 g/mol
Exact Mass265.06
IUPAC Name5-amino-4-chloro-1'-methylspiro[1,3-dihydroindene-2,5'-imidazolidine]-2',4'-dione
SMILESCN1C(=O)NC(=O)C12Cc1ccc(N)c(Cl)c1C2
InChIInChI=1S/C12H12ClN3O2/c1-16-11(18)15-10(17)12(16)4-6-2-3-8(14)9(13)7(6)5-12/h2-3H,4-5,14H2,1H3,(H,15,17,18)
InChIKeyFWKHALUTMUOVMT-UHFFFAOYSA-N
XLogP0.94
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.70
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-chloro-1'-methylspiro[1,3-dihydroindene-2,5'-imidazolidine]-2',4'-dione?
The IUPAC name of 5-amino-4-chloro-1'-methylspiro[1,3-dihydroindene-2,5'-imidazolidine]-2',4'-dione (CID 18449392) is 5-amino-4-chloro-1'-methylspiro[1,3-dihydroindene-2,5'-imidazolidine]-2',4'-dione.
What is the SMILES notation for 5-amino-4-chloro-1'-methylspiro[1,3-dihydroindene-2,5'-imidazolidine]-2',4'-dione?
The canonical SMILES for 5-amino-4-chloro-1'-methylspiro[1,3-dihydroindene-2,5'-imidazolidine]-2',4'-dione is CN1C(=O)NC(=O)C12Cc1ccc(N)c(Cl)c1C2.
What is the InChIKey of 5-amino-4-chloro-1'-methylspiro[1,3-dihydroindene-2,5'-imidazolidine]-2',4'-dione?
The InChIKey is FWKHALUTMUOVMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O2/c1-16-11(18)15-10(17)12(16)4-6-2-3-8(14)9(13)7(6)5-12/h2-3H,4-5,14H2,1H3,(H,15,17,18).
What are the key properties of 5-amino-4-chloro-1'-methylspiro[1,3-dihydroindene-2,5'-imidazolidine]-2',4'-dione?
5-amino-4-chloro-1'-methylspiro[1,3-dihydroindene-2,5'-imidazolidine]-2',4'-dione has a molecular weight of 265.70 g/mol, XLogP of 0.94, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-chloro-1'-methylspiro[1,3-dihydroindene-2,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 18449392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).