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

C20H22FN3O3 — CID 126463708

IUPAC5-[(2-fluorophenyl)methyl]-5-[1-(furan-3-ylmethyl)piperidin-4-yl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(Cc2ccccc2F)(C2CCN(Cc3ccoc3)CC2)N1
InChIInChI=1S/C20H22FN3O3/c21-17-4-2-1-3-15(17)11-20(18(25)22-19(26)23-20)16-5-8-24(9-6-16)12-14-7-10-27-13-14/h1-4,7,10,13,16H,5-6,8-9,11-12H2,(H2,22,23,25,26)
InChIKeyPBAOCRQKNPQKPL-UHFFFAOYSA-N
MW371.41 g/mol
LogP2.45
Rot. Bonds5

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

5-[(2-fluorophenyl)methyl]-5-[1-(furan-3-ylmethyl)piperidin-4-yl]imidazolidine-2,4-dione (PubChem CID 126463708) has the molecular formula C20H22FN3O3 and a molecular weight of 371.41 g/mol. Its IUPAC name is 5-[(2-fluorophenyl)methyl]-5-[1-(furan-3-ylmethyl)piperidin-4-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[(2-fluorophenyl)methyl]-5-[1-(furan-3-ylmethyl)piperidin-4-yl]imidazolidine-2,4-dione
PubChem CID126463708
Molecular FormulaC20H22FN3O3
Molecular Weight371.41 g/mol
Exact Mass371.16
IUPAC Name5-[(2-fluorophenyl)methyl]-5-[1-(furan-3-ylmethyl)piperidin-4-yl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(Cc2ccccc2F)(C2CCN(Cc3ccoc3)CC2)N1
InChIInChI=1S/C20H22FN3O3/c21-17-4-2-1-3-15(17)11-20(18(25)22-19(26)23-20)16-5-8-24(9-6-16)12-14-7-10-27-13-14/h1-4,7,10,13,16H,5-6,8-9,11-12H2,(H2,22,23,25,26)
InChIKeyPBAOCRQKNPQKPL-UHFFFAOYSA-N
XLogP2.45
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.41
LogP ≤ 52.45
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-[(2-fluorophenyl)methyl]-5-[1-(furan-3-ylmethyl)piperidin-4-yl]imidazolidine-2,4-dione?
The IUPAC name of 5-[(2-fluorophenyl)methyl]-5-[1-(furan-3-ylmethyl)piperidin-4-yl]imidazolidine-2,4-dione (CID 126463708) is 5-[(2-fluorophenyl)methyl]-5-[1-(furan-3-ylmethyl)piperidin-4-yl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-[(2-fluorophenyl)methyl]-5-[1-(furan-3-ylmethyl)piperidin-4-yl]imidazolidine-2,4-dione?
The canonical SMILES for 5-[(2-fluorophenyl)methyl]-5-[1-(furan-3-ylmethyl)piperidin-4-yl]imidazolidine-2,4-dione is O=C1NC(=O)C(Cc2ccccc2F)(C2CCN(Cc3ccoc3)CC2)N1.
What is the InChIKey of 5-[(2-fluorophenyl)methyl]-5-[1-(furan-3-ylmethyl)piperidin-4-yl]imidazolidine-2,4-dione?
The InChIKey is PBAOCRQKNPQKPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O3/c21-17-4-2-1-3-15(17)11-20(18(25)22-19(26)23-20)16-5-8-24(9-6-16)12-14-7-10-27-13-14/h1-4,7,10,13,16H,5-6,8-9,11-12H2,(H2,22,23,25,26).
What are the key properties of 5-[(2-fluorophenyl)methyl]-5-[1-(furan-3-ylmethyl)piperidin-4-yl]imidazolidine-2,4-dione?
5-[(2-fluorophenyl)methyl]-5-[1-(furan-3-ylmethyl)piperidin-4-yl]imidazolidine-2,4-dione has a molecular weight of 371.41 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-fluorophenyl)methyl]-5-[1-(furan-3-ylmethyl)piperidin-4-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 126463708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).