2-[4-[(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl]piperazin-1-yl]-N-phenylacetamide

C28H29N5O3 — CID 55511357

IUPAC2-[4-[(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl]piperazin-1-yl]-N-phenylacetamide
SMILESO=C(CN1CCN(CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)CC1)Nc1ccccc1
InChIInChI=1S/C28H29N5O3/c34-25(29-24-14-8-3-9-15-24)20-31-16-18-32(19-17-31)21-33-26(35)28(30-27(33)36,22-10-4-1-5-11-22)23-12-6-2-7-13-23/h1-15H,16-21H2,(H,29,34)(H,30,36)
InChIKeyUFEDZLZPZJYILM-UHFFFAOYSA-N
MW483.57 g/mol
LogP2.70
Rot. Bonds7

About 2-[4-[(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl]piperazin-1-yl]-N-phenylacetamide

2-[4-[(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl]piperazin-1-yl]-N-phenylacetamide (PubChem CID 55511357) has the molecular formula C28H29N5O3 and a molecular weight of 483.57 g/mol. Its IUPAC name is 2-[4-[(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl]piperazin-1-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[4-[(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl]piperazin-1-yl]-N-phenylacetamide
PubChem CID55511357
Molecular FormulaC28H29N5O3
Molecular Weight483.57 g/mol
Exact Mass483.23
IUPAC Name2-[4-[(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl]piperazin-1-yl]-N-phenylacetamide
SMILESO=C(CN1CCN(CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)CC1)Nc1ccccc1
InChIInChI=1S/C28H29N5O3/c34-25(29-24-14-8-3-9-15-24)20-31-16-18-32(19-17-31)21-33-26(35)28(30-27(33)36,22-10-4-1-5-11-22)23-12-6-2-7-13-23/h1-15H,16-21H2,(H,29,34)(H,30,36)
InChIKeyUFEDZLZPZJYILM-UHFFFAOYSA-N
XLogP2.70
TPSA84.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.57
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-(4-methylphenyl)acetamide
CID 84601269
2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-(4-phenoxyphenyl)acetamide
CID 42964494
N-(4-cyanophenyl)-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide
CID 5036756
N-[1-[(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl]piperidin-4-yl]cyclopropanecarboxamide
CID 36781248
5,5-diphenyl-3-[(4-pyridin-4-ylpiperazin-1-yl)methyl]imidazolidine-2,4-dione
CID 31384492
N-(1,3-benzodioxol-5-yl)-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide
CID 2369441
N-(2-bromophenyl)-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide
CID 4045289
N-(4-fluorophenyl)-2-[4-[2-[[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 30730046
3-[4-(2-anilino-2-oxoethyl)piperazin-1-yl]propanoic acid
CID 43397416
1-[[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]-N-phenylpiperidine-4-carboxamide
CID 9325816
2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-[2-(4-methylphenoxy)phenyl]acetamide
CID 55463912
(5S)-5-(3,4-dimethylphenyl)-5-phenyl-3-(piperidin-1-ylmethyl)imidazolidine-2,4-dione
CID 9184161

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl]piperazin-1-yl]-N-phenylacetamide?
The IUPAC name of 2-[4-[(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl]piperazin-1-yl]-N-phenylacetamide (CID 55511357) is 2-[4-[(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl]piperazin-1-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[4-[(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl]piperazin-1-yl]-N-phenylacetamide?
The canonical SMILES for 2-[4-[(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl]piperazin-1-yl]-N-phenylacetamide is O=C(CN1CCN(CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)CC1)Nc1ccccc1.
What is the InChIKey of 2-[4-[(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl]piperazin-1-yl]-N-phenylacetamide?
The InChIKey is UFEDZLZPZJYILM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N5O3/c34-25(29-24-14-8-3-9-15-24)20-31-16-18-32(19-17-31)21-33-26(35)28(30-27(33)36,22-10-4-1-5-11-22)23-12-6-2-7-13-23/h1-15H,16-21H2,(H,29,34)(H,30,36).
What are the key properties of 2-[4-[(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl]piperazin-1-yl]-N-phenylacetamide?
2-[4-[(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl]piperazin-1-yl]-N-phenylacetamide has a molecular weight of 483.57 g/mol, XLogP of 2.70, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl]piperazin-1-yl]-N-phenylacetamide is sourced from PubChem (CID 55511357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).