5-[1-(2,6-difluorobenzoyl)piperidin-4-yl]-5-[(4-fluorophenyl)methyl]-3-(2-methoxyethyl)imidazolidine-2,4-dione

C25H26F3N3O4 — CID 45196029

IUPAC5-[1-(2,6-difluorobenzoyl)piperidin-4-yl]-5-[(4-fluorophenyl)methyl]-3-(2-methoxyethyl)imidazolidine-2,4-dione
SMILESCOCCN1C(=O)NC(Cc2ccc(F)cc2)(C2CCN(C(=O)c3c(F)cccc3F)CC2)C1=O
InChIInChI=1S/C25H26F3N3O4/c1-35-14-13-31-23(33)25(29-24(31)34,15-16-5-7-18(26)8-6-16)17-9-11-30(12-10-17)22(32)21-19(27)3-2-4-20(21)28/h2-8,17H,9-15H2,1H3,(H,29,34)
InChIKeyPGXSDOQUJPDESQ-UHFFFAOYSA-N
MW489.49 g/mol
LogP3.14
Rot. Bonds7

About 5-[1-(2,6-difluorobenzoyl)piperidin-4-yl]-5-[(4-fluorophenyl)methyl]-3-(2-methoxyethyl)imidazolidine-2,4-dione

5-[1-(2,6-difluorobenzoyl)piperidin-4-yl]-5-[(4-fluorophenyl)methyl]-3-(2-methoxyethyl)imidazolidine-2,4-dione (PubChem CID 45196029) has the molecular formula C25H26F3N3O4 and a molecular weight of 489.49 g/mol. Its IUPAC name is 5-[1-(2,6-difluorobenzoyl)piperidin-4-yl]-5-[(4-fluorophenyl)methyl]-3-(2-methoxyethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[1-(2,6-difluorobenzoyl)piperidin-4-yl]-5-[(4-fluorophenyl)methyl]-3-(2-methoxyethyl)imidazolidine-2,4-dione
PubChem CID45196029
Molecular FormulaC25H26F3N3O4
Molecular Weight489.49 g/mol
Exact Mass489.19
IUPAC Name5-[1-(2,6-difluorobenzoyl)piperidin-4-yl]-5-[(4-fluorophenyl)methyl]-3-(2-methoxyethyl)imidazolidine-2,4-dione
SMILESCOCCN1C(=O)NC(Cc2ccc(F)cc2)(C2CCN(C(=O)c3c(F)cccc3F)CC2)C1=O
InChIInChI=1S/C25H26F3N3O4/c1-35-14-13-31-23(33)25(29-24(31)34,15-16-5-7-18(26)8-6-16)17-9-11-30(12-10-17)22(32)21-19(27)3-2-4-20(21)28/h2-8,17H,9-15H2,1H3,(H,29,34)
InChIKeyPGXSDOQUJPDESQ-UHFFFAOYSA-N
XLogP3.14
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.49
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,4-Imidazolidinedione, 5,5-diphenyl-3-(3-(1-piperidinyl)propyl)-
CID 3041343
(5S)-3-Benzyl-5-ethyl-5-phenylimidazolidine-2,4-dione
CID 40633600
3-Benzyl-5-ethyl-5-phenylimidazolidine-2,4-dione
CID 4804492
2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 2087814
3-((4-Methyl-1-piperazinyl)methyl)-5,5-diphenyl-2,4-imidazolidinedione
CID 88959
N-(Morpholinomethyl)phenytoin
CID 120407
N-(tert-butylcarbamoyl)-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide
CID 2116804
2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-(3-methylbutyl)acetamide
CID 2586807
4-tert-butyl-N-[2,5-dioxo-1-(2-phenylethyl)-4-(trifluoromethyl)imidazolidin-4-yl]benzamide
CID 2967394
3-[2-(3,5-Dimethylpiperidin-1-yl)-2-oxoethyl]-5,5-diphenylimidazolidine-2,4-dione
CID 4544177
N-benzyl-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-methylacetamide
CID 4804495
3-[2-(4-Methylpiperidin-1-yl)-2-oxoethyl]-5,5-diphenylimidazolidine-2,4-dione
CID 5190925

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2,6-difluorobenzoyl)piperidin-4-yl]-5-[(4-fluorophenyl)methyl]-3-(2-methoxyethyl)imidazolidine-2,4-dione?
The IUPAC name of 5-[1-(2,6-difluorobenzoyl)piperidin-4-yl]-5-[(4-fluorophenyl)methyl]-3-(2-methoxyethyl)imidazolidine-2,4-dione (CID 45196029) is 5-[1-(2,6-difluorobenzoyl)piperidin-4-yl]-5-[(4-fluorophenyl)methyl]-3-(2-methoxyethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-[1-(2,6-difluorobenzoyl)piperidin-4-yl]-5-[(4-fluorophenyl)methyl]-3-(2-methoxyethyl)imidazolidine-2,4-dione?
The canonical SMILES for 5-[1-(2,6-difluorobenzoyl)piperidin-4-yl]-5-[(4-fluorophenyl)methyl]-3-(2-methoxyethyl)imidazolidine-2,4-dione is COCCN1C(=O)NC(Cc2ccc(F)cc2)(C2CCN(C(=O)c3c(F)cccc3F)CC2)C1=O.
What is the InChIKey of 5-[1-(2,6-difluorobenzoyl)piperidin-4-yl]-5-[(4-fluorophenyl)methyl]-3-(2-methoxyethyl)imidazolidine-2,4-dione?
The InChIKey is PGXSDOQUJPDESQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F3N3O4/c1-35-14-13-31-23(33)25(29-24(31)34,15-16-5-7-18(26)8-6-16)17-9-11-30(12-10-17)22(32)21-19(27)3-2-4-20(21)28/h2-8,17H,9-15H2,1H3,(H,29,34).
What are the key properties of 5-[1-(2,6-difluorobenzoyl)piperidin-4-yl]-5-[(4-fluorophenyl)methyl]-3-(2-methoxyethyl)imidazolidine-2,4-dione?
5-[1-(2,6-difluorobenzoyl)piperidin-4-yl]-5-[(4-fluorophenyl)methyl]-3-(2-methoxyethyl)imidazolidine-2,4-dione has a molecular weight of 489.49 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2,6-difluorobenzoyl)piperidin-4-yl]-5-[(4-fluorophenyl)methyl]-3-(2-methoxyethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 45196029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).