N-benzhydryl-2-[(4S)-4-benzyl-2,5-dioxoimidazolidin-1-yl]acetamide

C25H23N3O3 — CID 2462942

IUPACN-benzhydryl-2-[(4S)-4-benzyl-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESO=C(CN1C(=O)N[C@@H](Cc2ccccc2)C1=O)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H23N3O3/c29-22(27-23(19-12-6-2-7-13-19)20-14-8-3-9-15-20)17-28-24(30)21(26-25(28)31)16-18-10-4-1-5-11-18/h1-15,21,23H,16-17H2,(H,26,31)(H,27,29)/t21-/m0/s1
InChIKeyAGSMRNMFKCJGBU-NRFANRHFSA-N
MW413.48 g/mol
LogP3.06
Rot. Bonds7

About N-benzhydryl-2-[(4S)-4-benzyl-2,5-dioxoimidazolidin-1-yl]acetamide

N-benzhydryl-2-[(4S)-4-benzyl-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 2462942) has the molecular formula C25H23N3O3 and a molecular weight of 413.48 g/mol. Its IUPAC name is N-benzhydryl-2-[(4S)-4-benzyl-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-benzhydryl-2-[(4S)-4-benzyl-2,5-dioxoimidazolidin-1-yl]acetamide
PubChem CID2462942
Molecular FormulaC25H23N3O3
Molecular Weight413.48 g/mol
Exact Mass413.17
IUPAC NameN-benzhydryl-2-[(4S)-4-benzyl-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESO=C(CN1C(=O)N[C@@H](Cc2ccccc2)C1=O)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H23N3O3/c29-22(27-23(19-12-6-2-7-13-19)20-14-8-3-9-15-20)17-28-24(30)21(26-25(28)31)16-18-10-4-1-5-11-18/h1-15,21,23H,16-17H2,(H,26,31)(H,27,29)/t21-/m0/s1
InChIKeyAGSMRNMFKCJGBU-NRFANRHFSA-N
XLogP3.06
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 53.06
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

N-benzhydryl-2-[(4R)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 97081319
2-[(4S)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide
CID 51865412
2-[(4R)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 51864031
2-[(4S)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 29170365
N-[(R)-(4-chlorophenyl)-phenylmethyl]-2-[(4S)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 41103981
2-[(4S)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-(4-fluorophenyl)acetamide
CID 2090381
2-[(4R)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 2704316
2-(4-benzyl-2,5-dioxoimidazolidin-1-yl)-N-[2-(4-chlorophenyl)ethyl]acetamide
CID 4599471
2-[(4R)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N,N-bis(2-methylpropyl)acetamide
CID 29170373
2-(4-benzyl-2,5-dioxoimidazolidin-1-yl)-N-(2-ethoxyphenyl)acetamide
CID 18074733
3-[[2-(4-benzyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]-N-cyclopropylbenzamide
CID 46687587
N-benzyl-2-(4-benzyl-2,5-dioxoimidazolidin-1-yl)-N-propan-2-ylacetamide
CID 3549175

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-2-[(4S)-4-benzyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-benzhydryl-2-[(4S)-4-benzyl-2,5-dioxoimidazolidin-1-yl]acetamide (CID 2462942) is N-benzhydryl-2-[(4S)-4-benzyl-2,5-dioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-benzhydryl-2-[(4S)-4-benzyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-benzhydryl-2-[(4S)-4-benzyl-2,5-dioxoimidazolidin-1-yl]acetamide is O=C(CN1C(=O)N[C@@H](Cc2ccccc2)C1=O)NC(c1ccccc1)c1ccccc1.
What is the InChIKey of N-benzhydryl-2-[(4S)-4-benzyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The InChIKey is AGSMRNMFKCJGBU-NRFANRHFSA-N. The full InChI is InChI=1S/C25H23N3O3/c29-22(27-23(19-12-6-2-7-13-19)20-14-8-3-9-15-20)17-28-24(30)21(26-25(28)31)16-18-10-4-1-5-11-18/h1-15,21,23H,16-17H2,(H,26,31)(H,27,29)/t21-/m0/s1.
What are the key properties of N-benzhydryl-2-[(4S)-4-benzyl-2,5-dioxoimidazolidin-1-yl]acetamide?
N-benzhydryl-2-[(4S)-4-benzyl-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 413.48 g/mol, XLogP of 3.06, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-2-[(4S)-4-benzyl-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 2462942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).