5-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-5-(2-phenylethyl)imidazolidine-2,4-dione

C23H25F2N3O2 — CID 45188706

IUPAC5-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-5-(2-phenylethyl)imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(CCc2ccccc2)(C2CCN(Cc3cc(F)cc(F)c3)CC2)N1
InChIInChI=1S/C23H25F2N3O2/c24-19-12-17(13-20(25)14-19)15-28-10-7-18(8-11-28)23(21(29)26-22(30)27-23)9-6-16-4-2-1-3-5-16/h1-5,12-14,18H,6-11,15H2,(H2,26,27,29,30)
InChIKeyTZWSDKROEFBHHF-UHFFFAOYSA-N
MW413.47 g/mol
LogP3.39
Rot. Bonds6

About 5-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-5-(2-phenylethyl)imidazolidine-2,4-dione

5-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-5-(2-phenylethyl)imidazolidine-2,4-dione (PubChem CID 45188706) has the molecular formula C23H25F2N3O2 and a molecular weight of 413.47 g/mol. Its IUPAC name is 5-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-5-(2-phenylethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-5-(2-phenylethyl)imidazolidine-2,4-dione
PubChem CID45188706
Molecular FormulaC23H25F2N3O2
Molecular Weight413.47 g/mol
Exact Mass413.19
IUPAC Name5-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-5-(2-phenylethyl)imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(CCc2ccccc2)(C2CCN(Cc3cc(F)cc(F)c3)CC2)N1
InChIInChI=1S/C23H25F2N3O2/c24-19-12-17(13-20(25)14-19)15-28-10-7-18(8-11-28)23(21(29)26-22(30)27-23)9-6-16-4-2-1-3-5-16/h1-5,12-14,18H,6-11,15H2,(H2,26,27,29,30)
InChIKeyTZWSDKROEFBHHF-UHFFFAOYSA-N
XLogP3.39
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.47
LogP ≤ 53.39
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-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-5-(2-phenylethyl)imidazolidine-2,4-dione?
The IUPAC name of 5-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-5-(2-phenylethyl)imidazolidine-2,4-dione (CID 45188706) is 5-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-5-(2-phenylethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-5-(2-phenylethyl)imidazolidine-2,4-dione?
The canonical SMILES for 5-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-5-(2-phenylethyl)imidazolidine-2,4-dione is O=C1NC(=O)C(CCc2ccccc2)(C2CCN(Cc3cc(F)cc(F)c3)CC2)N1.
What is the InChIKey of 5-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-5-(2-phenylethyl)imidazolidine-2,4-dione?
The InChIKey is TZWSDKROEFBHHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F2N3O2/c24-19-12-17(13-20(25)14-19)15-28-10-7-18(8-11-28)23(21(29)26-22(30)27-23)9-6-16-4-2-1-3-5-16/h1-5,12-14,18H,6-11,15H2,(H2,26,27,29,30).
What are the key properties of 5-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-5-(2-phenylethyl)imidazolidine-2,4-dione?
5-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-5-(2-phenylethyl)imidazolidine-2,4-dione has a molecular weight of 413.47 g/mol, XLogP of 3.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-5-(2-phenylethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 45188706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).