5-(6,7-dihydro-1H-inden-2-yl)-5-[(2-oxo-3,4-dihydropyridin-1-yl)methyl]imidazolidine-2,4-dione

C18H19N3O3 — CID 58523407

IUPAC5-(6,7-dihydro-1H-inden-2-yl)-5-[(2-oxo-3,4-dihydropyridin-1-yl)methyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(CN2C=CCCC2=O)(C2=CC3=C(CCC=C3)C2)N1
InChIInChI=1S/C18H19N3O3/c22-15-7-3-4-8-21(15)11-18(16(23)19-17(24)20-18)14-9-12-5-1-2-6-13(12)10-14/h1,4-5,8-9H,2-3,6-7,10-11H2,(H2,19,20,23,24)
InChIKeyJIHHXILTQUZYLV-UHFFFAOYSA-N
MW325.37 g/mol
LogP1.68
Rot. Bonds3

About 5-(6,7-dihydro-1H-inden-2-yl)-5-[(2-oxo-3,4-dihydropyridin-1-yl)methyl]imidazolidine-2,4-dione

5-(6,7-dihydro-1H-inden-2-yl)-5-[(2-oxo-3,4-dihydropyridin-1-yl)methyl]imidazolidine-2,4-dione (PubChem CID 58523407) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is 5-(6,7-dihydro-1H-inden-2-yl)-5-[(2-oxo-3,4-dihydropyridin-1-yl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(6,7-dihydro-1H-inden-2-yl)-5-[(2-oxo-3,4-dihydropyridin-1-yl)methyl]imidazolidine-2,4-dione
PubChem CID58523407
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name5-(6,7-dihydro-1H-inden-2-yl)-5-[(2-oxo-3,4-dihydropyridin-1-yl)methyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(CN2C=CCCC2=O)(C2=CC3=C(CCC=C3)C2)N1
InChIInChI=1S/C18H19N3O3/c22-15-7-3-4-8-21(15)11-18(16(23)19-17(24)20-18)14-9-12-5-1-2-6-13(12)10-14/h1,4-5,8-9H,2-3,6-7,10-11H2,(H2,19,20,23,24)
InChIKeyJIHHXILTQUZYLV-UHFFFAOYSA-N
XLogP1.68
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.68
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-(6,7-dihydro-1H-inden-2-yl)-5-[(2-oxo-3,4-dihydropyridin-1-yl)methyl]imidazolidine-2,4-dione?
The IUPAC name of 5-(6,7-dihydro-1H-inden-2-yl)-5-[(2-oxo-3,4-dihydropyridin-1-yl)methyl]imidazolidine-2,4-dione (CID 58523407) is 5-(6,7-dihydro-1H-inden-2-yl)-5-[(2-oxo-3,4-dihydropyridin-1-yl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-(6,7-dihydro-1H-inden-2-yl)-5-[(2-oxo-3,4-dihydropyridin-1-yl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-(6,7-dihydro-1H-inden-2-yl)-5-[(2-oxo-3,4-dihydropyridin-1-yl)methyl]imidazolidine-2,4-dione is O=C1NC(=O)C(CN2C=CCCC2=O)(C2=CC3=C(CCC=C3)C2)N1.
What is the InChIKey of 5-(6,7-dihydro-1H-inden-2-yl)-5-[(2-oxo-3,4-dihydropyridin-1-yl)methyl]imidazolidine-2,4-dione?
The InChIKey is JIHHXILTQUZYLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c22-15-7-3-4-8-21(15)11-18(16(23)19-17(24)20-18)14-9-12-5-1-2-6-13(12)10-14/h1,4-5,8-9H,2-3,6-7,10-11H2,(H2,19,20,23,24).
What are the key properties of 5-(6,7-dihydro-1H-inden-2-yl)-5-[(2-oxo-3,4-dihydropyridin-1-yl)methyl]imidazolidine-2,4-dione?
5-(6,7-dihydro-1H-inden-2-yl)-5-[(2-oxo-3,4-dihydropyridin-1-yl)methyl]imidazolidine-2,4-dione has a molecular weight of 325.37 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6,7-dihydro-1H-inden-2-yl)-5-[(2-oxo-3,4-dihydropyridin-1-yl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 58523407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).