2-(4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide

C27H25F2N3O4 — CID 46672266

IUPAC2-(4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide
SMILESO=C(CN1C(=O)NC(Cc2ccccc2)(c2ccccc2)C1=O)NCCc1ccc(OC(F)F)cc1
InChIInChI=1S/C27H25F2N3O4/c28-25(29)36-22-13-11-19(12-14-22)15-16-30-23(33)18-32-24(34)27(31-26(32)35,21-9-5-2-6-10-21)17-20-7-3-1-4-8-20/h1-14,25H,15-18H2,(H,30,33)(H,31,35)
InChIKeyWDOBQKHVPJKHLZ-UHFFFAOYSA-N
MW493.51 g/mol
LogP3.64
Rot. Bonds10

About 2-(4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide

2-(4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide (PubChem CID 46672266) has the molecular formula C27H25F2N3O4 and a molecular weight of 493.51 g/mol. Its IUPAC name is 2-(4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide.

Molecular Properties

Compound Name2-(4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide
PubChem CID46672266
Molecular FormulaC27H25F2N3O4
Molecular Weight493.51 g/mol
Exact Mass493.18
IUPAC Name2-(4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide
SMILESO=C(CN1C(=O)NC(Cc2ccccc2)(c2ccccc2)C1=O)NCCc1ccc(OC(F)F)cc1
InChIInChI=1S/C27H25F2N3O4/c28-25(29)36-22-13-11-19(12-14-22)15-16-30-23(33)18-32-24(34)27(31-26(32)35,21-9-5-2-6-10-21)17-20-7-3-1-4-8-20/h1-14,25H,15-18H2,(H,30,33)(H,31,35)
InChIKeyWDOBQKHVPJKHLZ-UHFFFAOYSA-N
XLogP3.64
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.51
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(4R)-4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-phenylethyl)acetamide
CID 2703290
2-[(4R)-4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(3-methoxypropyl)acetamide
CID 7637595
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-[4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 24520524
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-[(4R)-4-(3,4-dimethoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 27958763
2-[(4R)-4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(propylcarbamoyl)acetamide
CID 7300104
2-[(4S)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-phenylethyl)acetamide
CID 7622192
2-[(4R)-4-butyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-[4-(difluoromethoxy)phenyl]acetamide
CID 41123926
2-[(4R)-4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(methylcarbamoyl)acetamide
CID 2705361
2-[(4R)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 7595537
2-[(4S)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 7595536
2-[(4S)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 2117097
2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 41153699

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide?
The IUPAC name of 2-(4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide (CID 46672266) is 2-(4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide.
What is the SMILES notation for 2-(4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide?
The canonical SMILES for 2-(4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide is O=C(CN1C(=O)NC(Cc2ccccc2)(c2ccccc2)C1=O)NCCc1ccc(OC(F)F)cc1.
What is the InChIKey of 2-(4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide?
The InChIKey is WDOBQKHVPJKHLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25F2N3O4/c28-25(29)36-22-13-11-19(12-14-22)15-16-30-23(33)18-32-24(34)27(31-26(32)35,21-9-5-2-6-10-21)17-20-7-3-1-4-8-20/h1-14,25H,15-18H2,(H,30,33)(H,31,35).
What are the key properties of 2-(4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide?
2-(4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide has a molecular weight of 493.51 g/mol, XLogP of 3.64, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide is sourced from PubChem (CID 46672266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).