5-[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-4-yl]-5-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione

C24H26FN3O3 — CID 45170785

IUPAC5-[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-4-yl]-5-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(Cc2ccccc2F)(C2CCN(Cc3ccc4c(c3)CCO4)CC2)N1
InChIInChI=1S/C24H26FN3O3/c25-20-4-2-1-3-18(20)14-24(22(29)26-23(30)27-24)19-7-10-28(11-8-19)15-16-5-6-21-17(13-16)9-12-31-21/h1-6,13,19H,7-12,14-15H2,(H2,26,27,29,30)
InChIKeyCSXDKNJMBZKDGO-UHFFFAOYSA-N
MW423.49 g/mol
LogP2.79
Rot. Bonds5

About 5-[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-4-yl]-5-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione

5-[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-4-yl]-5-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione (PubChem CID 45170785) has the molecular formula C24H26FN3O3 and a molecular weight of 423.49 g/mol. Its IUPAC name is 5-[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-4-yl]-5-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-4-yl]-5-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione
PubChem CID45170785
Molecular FormulaC24H26FN3O3
Molecular Weight423.49 g/mol
Exact Mass423.20
IUPAC Name5-[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-4-yl]-5-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(Cc2ccccc2F)(C2CCN(Cc3ccc4c(c3)CCO4)CC2)N1
InChIInChI=1S/C24H26FN3O3/c25-20-4-2-1-3-18(20)14-24(22(29)26-23(30)27-24)19-7-10-28(11-8-19)15-16-5-6-21-17(13-16)9-12-31-21/h1-6,13,19H,7-12,14-15H2,(H2,26,27,29,30)
InChIKeyCSXDKNJMBZKDGO-UHFFFAOYSA-N
XLogP2.79
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.49
LogP ≤ 52.79
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-5-ylmethyl)piperidin-4-yl]-5-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione?
The IUPAC name of 5-[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-4-yl]-5-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione (CID 45170785) is 5-[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-4-yl]-5-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-4-yl]-5-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-4-yl]-5-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione is O=C1NC(=O)C(Cc2ccccc2F)(C2CCN(Cc3ccc4c(c3)CCO4)CC2)N1.
What is the InChIKey of 5-[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-4-yl]-5-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione?
The InChIKey is CSXDKNJMBZKDGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3O3/c25-20-4-2-1-3-18(20)14-24(22(29)26-23(30)27-24)19-7-10-28(11-8-19)15-16-5-6-21-17(13-16)9-12-31-21/h1-6,13,19H,7-12,14-15H2,(H2,26,27,29,30).
What are the key properties of 5-[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-4-yl]-5-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione?
5-[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-4-yl]-5-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione has a molecular weight of 423.49 g/mol, XLogP of 2.79, 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-5-ylmethyl)piperidin-4-yl]-5-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 45170785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).