5-[(3-methoxy-5-methylphenyl)methylamino]spiro[1,3-dihydroindene-2,5'-imidazolidine]-2',4'-dione

C20H21N3O3 — CID 142942914

IUPAC5-[(3-methoxy-5-methylphenyl)methylamino]spiro[1,3-dihydroindene-2,5'-imidazolidine]-2',4'-dione
SMILESCOc1cc(C)cc(CNc2ccc3c(c2)CC2(C3)NC(=O)NC2=O)c1
InChIInChI=1S/C20H21N3O3/c1-12-5-13(7-17(6-12)26-2)11-21-16-4-3-14-9-20(10-15(14)8-16)18(24)22-19(25)23-20/h3-8,21H,9-11H2,1-2H3,(H2,22,23,24,25)
InChIKeyMCOAJPIBYWLZKB-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.29
Rot. Bonds4

About 5-[(3-methoxy-5-methylphenyl)methylamino]spiro[1,3-dihydroindene-2,5'-imidazolidine]-2',4'-dione

5-[(3-methoxy-5-methylphenyl)methylamino]spiro[1,3-dihydroindene-2,5'-imidazolidine]-2',4'-dione (PubChem CID 142942914) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 5-[(3-methoxy-5-methylphenyl)methylamino]spiro[1,3-dihydroindene-2,5'-imidazolidine]-2',4'-dione.

Molecular Properties

Compound Name5-[(3-methoxy-5-methylphenyl)methylamino]spiro[1,3-dihydroindene-2,5'-imidazolidine]-2',4'-dione
PubChem CID142942914
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name5-[(3-methoxy-5-methylphenyl)methylamino]spiro[1,3-dihydroindene-2,5'-imidazolidine]-2',4'-dione
SMILESCOc1cc(C)cc(CNc2ccc3c(c2)CC2(C3)NC(=O)NC2=O)c1
InChIInChI=1S/C20H21N3O3/c1-12-5-13(7-17(6-12)26-2)11-21-16-4-3-14-9-20(10-15(14)8-16)18(24)22-19(25)23-20/h3-8,21H,9-11H2,1-2H3,(H2,22,23,24,25)
InChIKeyMCOAJPIBYWLZKB-UHFFFAOYSA-N
XLogP2.29
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.29
H-Bond Donors ≤ 53
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 5-[(3-methoxy-5-methylphenyl)methylamino]spiro[1,3-dihydroindene-2,5'-imidazolidine]-2',4'-dione?
The IUPAC name of 5-[(3-methoxy-5-methylphenyl)methylamino]spiro[1,3-dihydroindene-2,5'-imidazolidine]-2',4'-dione (CID 142942914) is 5-[(3-methoxy-5-methylphenyl)methylamino]spiro[1,3-dihydroindene-2,5'-imidazolidine]-2',4'-dione.
What is the SMILES notation for 5-[(3-methoxy-5-methylphenyl)methylamino]spiro[1,3-dihydroindene-2,5'-imidazolidine]-2',4'-dione?
The canonical SMILES for 5-[(3-methoxy-5-methylphenyl)methylamino]spiro[1,3-dihydroindene-2,5'-imidazolidine]-2',4'-dione is COc1cc(C)cc(CNc2ccc3c(c2)CC2(C3)NC(=O)NC2=O)c1.
What is the InChIKey of 5-[(3-methoxy-5-methylphenyl)methylamino]spiro[1,3-dihydroindene-2,5'-imidazolidine]-2',4'-dione?
The InChIKey is MCOAJPIBYWLZKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-12-5-13(7-17(6-12)26-2)11-21-16-4-3-14-9-20(10-15(14)8-16)18(24)22-19(25)23-20/h3-8,21H,9-11H2,1-2H3,(H2,22,23,24,25).
What are the key properties of 5-[(3-methoxy-5-methylphenyl)methylamino]spiro[1,3-dihydroindene-2,5'-imidazolidine]-2',4'-dione?
5-[(3-methoxy-5-methylphenyl)methylamino]spiro[1,3-dihydroindene-2,5'-imidazolidine]-2',4'-dione has a molecular weight of 351.41 g/mol, XLogP of 2.29, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methoxy-5-methylphenyl)methylamino]spiro[1,3-dihydroindene-2,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 142942914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).