2-[(4S)-4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(2,5-dimethylphenyl)acetamide

C26H25N3O3 — CID 40965115

IUPAC2-[(4S)-4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(2,5-dimethylphenyl)acetamide
SMILESCc1ccc(C)c(NC(=O)CN2C(=O)N[C@@](Cc3ccccc3)(c3ccccc3)C2=O)c1
InChIInChI=1S/C26H25N3O3/c1-18-13-14-19(2)22(15-18)27-23(30)17-29-24(31)26(28-25(29)32,21-11-7-4-8-12-21)16-20-9-5-3-6-10-20/h3-15H,16-17H2,1-2H3,(H,27,30)(H,28,32)/t26-/m0/s1
InChIKeyTXXFAZIWRHXZCA-SANMLTNESA-N
MW427.50 g/mol
LogP3.93
Rot. Bonds6

About 2-[(4S)-4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(2,5-dimethylphenyl)acetamide

2-[(4S)-4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(2,5-dimethylphenyl)acetamide (PubChem CID 40965115) has the molecular formula C26H25N3O3 and a molecular weight of 427.50 g/mol. Its IUPAC name is 2-[(4S)-4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(2,5-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[(4S)-4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(2,5-dimethylphenyl)acetamide
PubChem CID40965115
Molecular FormulaC26H25N3O3
Molecular Weight427.50 g/mol
Exact Mass427.19
IUPAC Name2-[(4S)-4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(2,5-dimethylphenyl)acetamide
SMILESCc1ccc(C)c(NC(=O)CN2C(=O)N[C@@](Cc3ccccc3)(c3ccccc3)C2=O)c1
InChIInChI=1S/C26H25N3O3/c1-18-13-14-19(2)22(15-18)27-23(30)17-29-24(31)26(28-25(29)32,21-11-7-4-8-12-21)16-20-9-5-3-6-10-20/h3-15H,16-17H2,1-2H3,(H,27,30)(H,28,32)/t26-/m0/s1
InChIKeyTXXFAZIWRHXZCA-SANMLTNESA-N
XLogP3.93
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.50
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(4S)-4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(2-methylphenyl)acetamide
CID 7637654
2-(4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(2-methoxy-5-methylphenyl)acetamide
CID 42986255
2-(4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(4-methylphenyl)acetamide
CID 16545157
2-[(4R)-4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(2-fluorophenyl)acetamide
CID 7637677
2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 2582592
2-[(4R)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2,5-dimethylphenyl)acetamide
CID 7622092
2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(2-fluoro-4-methylphenyl)acetamide
CID 16545970
methyl 3-[[2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetyl]amino]-4-methylbenzoate
CID 16550511
2-[(4R)-4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 41094219
2-[(4R)-4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(methylcarbamoyl)acetamide
CID 2705361
N-(2-bromo-4-methylphenyl)-2-[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetamide
CID 2161530
N-(2,4-dimethylphenyl)-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 2429663

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(2,5-dimethylphenyl)acetamide?
The IUPAC name of 2-[(4S)-4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(2,5-dimethylphenyl)acetamide (CID 40965115) is 2-[(4S)-4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(2,5-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[(4S)-4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(2,5-dimethylphenyl)acetamide?
The canonical SMILES for 2-[(4S)-4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(2,5-dimethylphenyl)acetamide is Cc1ccc(C)c(NC(=O)CN2C(=O)N[C@@](Cc3ccccc3)(c3ccccc3)C2=O)c1.
What is the InChIKey of 2-[(4S)-4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(2,5-dimethylphenyl)acetamide?
The InChIKey is TXXFAZIWRHXZCA-SANMLTNESA-N. The full InChI is InChI=1S/C26H25N3O3/c1-18-13-14-19(2)22(15-18)27-23(30)17-29-24(31)26(28-25(29)32,21-11-7-4-8-12-21)16-20-9-5-3-6-10-20/h3-15H,16-17H2,1-2H3,(H,27,30)(H,28,32)/t26-/m0/s1.
What are the key properties of 2-[(4S)-4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(2,5-dimethylphenyl)acetamide?
2-[(4S)-4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(2,5-dimethylphenyl)acetamide has a molecular weight of 427.50 g/mol, XLogP of 3.93, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(2,5-dimethylphenyl)acetamide is sourced from PubChem (CID 40965115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).