(5R)-3-[(4-fluorophenyl)methyl]-5-methyl-5-[1-(4-oxo-6,7-dihydro-5H-1-benzofuran-3-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione

C25H26FN3O5 — CID 42331455

IUPAC(5R)-3-[(4-fluorophenyl)methyl]-5-methyl-5-[1-(4-oxo-6,7-dihydro-5H-1-benzofuran-3-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione
SMILESC[C@]1(C2CCN(C(=O)c3coc4c3C(=O)CCC4)CC2)NC(=O)N(Cc2ccc(F)cc2)C1=O
InChIInChI=1S/C25H26FN3O5/c1-25(23(32)29(24(33)27-25)13-15-5-7-17(26)8-6-15)16-9-11-28(12-10-16)22(31)18-14-34-20-4-2-3-19(30)21(18)20/h5-8,14,16H,2-4,9-13H2,1H3,(H,27,33)/t25-/m1/s1
InChIKeyIRFVVAZBPMGFBR-RUZDIDTESA-N
MW467.50 g/mol
LogP3.30
Rot. Bonds4

About (5R)-3-[(4-fluorophenyl)methyl]-5-methyl-5-[1-(4-oxo-6,7-dihydro-5H-1-benzofuran-3-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione

(5R)-3-[(4-fluorophenyl)methyl]-5-methyl-5-[1-(4-oxo-6,7-dihydro-5H-1-benzofuran-3-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione (PubChem CID 42331455) has the molecular formula C25H26FN3O5 and a molecular weight of 467.50 g/mol. Its IUPAC name is (5R)-3-[(4-fluorophenyl)methyl]-5-methyl-5-[1-(4-oxo-6,7-dihydro-5H-1-benzofuran-3-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-3-[(4-fluorophenyl)methyl]-5-methyl-5-[1-(4-oxo-6,7-dihydro-5H-1-benzofuran-3-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione
PubChem CID42331455
Molecular FormulaC25H26FN3O5
Molecular Weight467.50 g/mol
Exact Mass467.19
IUPAC Name(5R)-3-[(4-fluorophenyl)methyl]-5-methyl-5-[1-(4-oxo-6,7-dihydro-5H-1-benzofuran-3-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione
SMILESC[C@]1(C2CCN(C(=O)c3coc4c3C(=O)CCC4)CC2)NC(=O)N(Cc2ccc(F)cc2)C1=O
InChIInChI=1S/C25H26FN3O5/c1-25(23(32)29(24(33)27-25)13-15-5-7-17(26)8-6-15)16-9-11-28(12-10-16)22(31)18-14-34-20-4-2-3-19(30)21(18)20/h5-8,14,16H,2-4,9-13H2,1H3,(H,27,33)/t25-/m1/s1
InChIKeyIRFVVAZBPMGFBR-RUZDIDTESA-N
XLogP3.30
TPSA99.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.50
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5R)-3-[(4-fluorophenyl)methyl]-5-methyl-5-[1-(4-oxo-6,7-dihydro-5H-1-benzofuran-3-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione?
The IUPAC name of (5R)-3-[(4-fluorophenyl)methyl]-5-methyl-5-[1-(4-oxo-6,7-dihydro-5H-1-benzofuran-3-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione (CID 42331455) is (5R)-3-[(4-fluorophenyl)methyl]-5-methyl-5-[1-(4-oxo-6,7-dihydro-5H-1-benzofuran-3-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-3-[(4-fluorophenyl)methyl]-5-methyl-5-[1-(4-oxo-6,7-dihydro-5H-1-benzofuran-3-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione?
The canonical SMILES for (5R)-3-[(4-fluorophenyl)methyl]-5-methyl-5-[1-(4-oxo-6,7-dihydro-5H-1-benzofuran-3-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione is C[C@]1(C2CCN(C(=O)c3coc4c3C(=O)CCC4)CC2)NC(=O)N(Cc2ccc(F)cc2)C1=O.
What is the InChIKey of (5R)-3-[(4-fluorophenyl)methyl]-5-methyl-5-[1-(4-oxo-6,7-dihydro-5H-1-benzofuran-3-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione?
The InChIKey is IRFVVAZBPMGFBR-RUZDIDTESA-N. The full InChI is InChI=1S/C25H26FN3O5/c1-25(23(32)29(24(33)27-25)13-15-5-7-17(26)8-6-15)16-9-11-28(12-10-16)22(31)18-14-34-20-4-2-3-19(30)21(18)20/h5-8,14,16H,2-4,9-13H2,1H3,(H,27,33)/t25-/m1/s1.
What are the key properties of (5R)-3-[(4-fluorophenyl)methyl]-5-methyl-5-[1-(4-oxo-6,7-dihydro-5H-1-benzofuran-3-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione?
(5R)-3-[(4-fluorophenyl)methyl]-5-methyl-5-[1-(4-oxo-6,7-dihydro-5H-1-benzofuran-3-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione has a molecular weight of 467.50 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[(4-fluorophenyl)methyl]-5-methyl-5-[1-(4-oxo-6,7-dihydro-5H-1-benzofuran-3-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 42331455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).