5-[1-(2,3-dihydro-1-benzofuran-2-carbonyl)piperidin-4-yl]-5-(2-phenylethyl)imidazolidine-2,4-dione

C25H27N3O4 — CID 45190692

IUPAC5-[1-(2,3-dihydro-1-benzofuran-2-carbonyl)piperidin-4-yl]-5-(2-phenylethyl)imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(CCc2ccccc2)(C2CCN(C(=O)C3Cc4ccccc4O3)CC2)N1
InChIInChI=1S/C25H27N3O4/c29-22(21-16-18-8-4-5-9-20(18)32-21)28-14-11-19(12-15-28)25(23(30)26-24(31)27-25)13-10-17-6-2-1-3-7-17/h1-9,19,21H,10-16H2,(H2,26,27,30,31)
InChIKeyFUPPHHHCOXOCLA-UHFFFAOYSA-N
MW433.51 g/mol
LogP2.44
Rot. Bonds5

About 5-[1-(2,3-dihydro-1-benzofuran-2-carbonyl)piperidin-4-yl]-5-(2-phenylethyl)imidazolidine-2,4-dione

5-[1-(2,3-dihydro-1-benzofuran-2-carbonyl)piperidin-4-yl]-5-(2-phenylethyl)imidazolidine-2,4-dione (PubChem CID 45190692) has the molecular formula C25H27N3O4 and a molecular weight of 433.51 g/mol. Its IUPAC name is 5-[1-(2,3-dihydro-1-benzofuran-2-carbonyl)piperidin-4-yl]-5-(2-phenylethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[1-(2,3-dihydro-1-benzofuran-2-carbonyl)piperidin-4-yl]-5-(2-phenylethyl)imidazolidine-2,4-dione
PubChem CID45190692
Molecular FormulaC25H27N3O4
Molecular Weight433.51 g/mol
Exact Mass433.20
IUPAC Name5-[1-(2,3-dihydro-1-benzofuran-2-carbonyl)piperidin-4-yl]-5-(2-phenylethyl)imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(CCc2ccccc2)(C2CCN(C(=O)C3Cc4ccccc4O3)CC2)N1
InChIInChI=1S/C25H27N3O4/c29-22(21-16-18-8-4-5-9-20(18)32-21)28-14-11-19(12-15-28)25(23(30)26-24(31)27-25)13-10-17-6-2-1-3-7-17/h1-9,19,21H,10-16H2,(H2,26,27,30,31)
InChIKeyFUPPHHHCOXOCLA-UHFFFAOYSA-N
XLogP2.44
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 52.44
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 5-[1-(2,3-dihydro-1-benzofuran-2-carbonyl)piperidin-4-yl]-5-(2-phenylethyl)imidazolidine-2,4-dione?
The IUPAC name of 5-[1-(2,3-dihydro-1-benzofuran-2-carbonyl)piperidin-4-yl]-5-(2-phenylethyl)imidazolidine-2,4-dione (CID 45190692) is 5-[1-(2,3-dihydro-1-benzofuran-2-carbonyl)piperidin-4-yl]-5-(2-phenylethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-[1-(2,3-dihydro-1-benzofuran-2-carbonyl)piperidin-4-yl]-5-(2-phenylethyl)imidazolidine-2,4-dione?
The canonical SMILES for 5-[1-(2,3-dihydro-1-benzofuran-2-carbonyl)piperidin-4-yl]-5-(2-phenylethyl)imidazolidine-2,4-dione is O=C1NC(=O)C(CCc2ccccc2)(C2CCN(C(=O)C3Cc4ccccc4O3)CC2)N1.
What is the InChIKey of 5-[1-(2,3-dihydro-1-benzofuran-2-carbonyl)piperidin-4-yl]-5-(2-phenylethyl)imidazolidine-2,4-dione?
The InChIKey is FUPPHHHCOXOCLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O4/c29-22(21-16-18-8-4-5-9-20(18)32-21)28-14-11-19(12-15-28)25(23(30)26-24(31)27-25)13-10-17-6-2-1-3-7-17/h1-9,19,21H,10-16H2,(H2,26,27,30,31).
What are the key properties of 5-[1-(2,3-dihydro-1-benzofuran-2-carbonyl)piperidin-4-yl]-5-(2-phenylethyl)imidazolidine-2,4-dione?
5-[1-(2,3-dihydro-1-benzofuran-2-carbonyl)piperidin-4-yl]-5-(2-phenylethyl)imidazolidine-2,4-dione has a molecular weight of 433.51 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2,3-dihydro-1-benzofuran-2-carbonyl)piperidin-4-yl]-5-(2-phenylethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 45190692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).