2-[1-(3-methoxyphenyl)-2,5-dioxo-3-(pyridin-2-ylmethyl)imidazolidin-4-yl]-N-phenylacetamide

C24H22N4O4 — CID 3165084

IUPAC2-[1-(3-methoxyphenyl)-2,5-dioxo-3-(pyridin-2-ylmethyl)imidazolidin-4-yl]-N-phenylacetamide
SMILESCOc1cccc(N2C(=O)C(CC(=O)Nc3ccccc3)N(Cc3ccccn3)C2=O)c1
InChIInChI=1S/C24H22N4O4/c1-32-20-12-7-11-19(14-20)28-23(30)21(15-22(29)26-17-8-3-2-4-9-17)27(24(28)31)16-18-10-5-6-13-25-18/h2-14,21H,15-16H2,1H3,(H,26,29)
InChIKeyCPJPCSKIJZORQD-UHFFFAOYSA-N
MW430.46 g/mol
LogP3.46
Rot. Bonds7

About 2-[1-(3-methoxyphenyl)-2,5-dioxo-3-(pyridin-2-ylmethyl)imidazolidin-4-yl]-N-phenylacetamide

2-[1-(3-methoxyphenyl)-2,5-dioxo-3-(pyridin-2-ylmethyl)imidazolidin-4-yl]-N-phenylacetamide (PubChem CID 3165084) has the molecular formula C24H22N4O4 and a molecular weight of 430.46 g/mol. Its IUPAC name is 2-[1-(3-methoxyphenyl)-2,5-dioxo-3-(pyridin-2-ylmethyl)imidazolidin-4-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[1-(3-methoxyphenyl)-2,5-dioxo-3-(pyridin-2-ylmethyl)imidazolidin-4-yl]-N-phenylacetamide
PubChem CID3165084
Molecular FormulaC24H22N4O4
Molecular Weight430.46 g/mol
Exact Mass430.16
IUPAC Name2-[1-(3-methoxyphenyl)-2,5-dioxo-3-(pyridin-2-ylmethyl)imidazolidin-4-yl]-N-phenylacetamide
SMILESCOc1cccc(N2C(=O)C(CC(=O)Nc3ccccc3)N(Cc3ccccn3)C2=O)c1
InChIInChI=1S/C24H22N4O4/c1-32-20-12-7-11-19(14-20)28-23(30)21(15-22(29)26-17-8-3-2-4-9-17)27(24(28)31)16-18-10-5-6-13-25-18/h2-14,21H,15-16H2,1H3,(H,26,29)
InChIKeyCPJPCSKIJZORQD-UHFFFAOYSA-N
XLogP3.46
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.46
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methoxyphenyl)-2-[1-(3-methoxyphenyl)-2,5-dioxo-3-(pyridin-2-ylmethyl)imidazolidin-4-yl]acetamide
CID 3165083
N-(4-ethoxyphenyl)-2-[1-(3-methoxyphenyl)-5-oxo-3-(pyridin-2-ylmethyl)-2-sulfanylideneimidazolidin-4-yl]acetamide
CID 4918705
N-(4-methoxyphenyl)-2-[(4S)-3-[(3-methoxyphenyl)methyl]-2,5-dioxo-1-phenylimidazolidin-4-yl]acetamide
CID 41001950
N-(4-ethoxyphenyl)-2-[1-(3-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 5213462
N-(4-fluorophenyl)-2-[(4R)-3-[(3-methoxyphenyl)methyl]-2,5-dioxo-1-phenylimidazolidin-4-yl]acetamide
CID 41002004
ethyl 3-[[2-[(4R)-1-(4-ethoxyphenyl)-2,5-dioxo-3-(pyridin-2-ylmethyl)imidazolidin-4-yl]acetyl]amino]benzoate
CID 28701661
2-[1-(3-chlorophenyl)-5-oxo-3-(pyridin-2-ylmethyl)-2-sulfanylideneimidazolidin-4-yl]-N-(4-ethoxyphenyl)acetamide
CID 4918706
2-[(4R)-1-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide
CID 41242678
2-[3-(furan-2-ylmethyl)-1-(3-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide
CID 5023637
N-(3-fluorophenyl)-2-[(4R)-1-(3-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 41284859
N-(4-methoxyphenyl)-2-[(4R)-1-(4-methoxyphenyl)-3-[(3-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 41001956
2-[(4S)-1-(3-methoxyphenyl)-3-[2-(3-methylthiophen-2-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide
CID 40774791

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-methoxyphenyl)-2,5-dioxo-3-(pyridin-2-ylmethyl)imidazolidin-4-yl]-N-phenylacetamide?
The IUPAC name of 2-[1-(3-methoxyphenyl)-2,5-dioxo-3-(pyridin-2-ylmethyl)imidazolidin-4-yl]-N-phenylacetamide (CID 3165084) is 2-[1-(3-methoxyphenyl)-2,5-dioxo-3-(pyridin-2-ylmethyl)imidazolidin-4-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[1-(3-methoxyphenyl)-2,5-dioxo-3-(pyridin-2-ylmethyl)imidazolidin-4-yl]-N-phenylacetamide?
The canonical SMILES for 2-[1-(3-methoxyphenyl)-2,5-dioxo-3-(pyridin-2-ylmethyl)imidazolidin-4-yl]-N-phenylacetamide is COc1cccc(N2C(=O)C(CC(=O)Nc3ccccc3)N(Cc3ccccn3)C2=O)c1.
What is the InChIKey of 2-[1-(3-methoxyphenyl)-2,5-dioxo-3-(pyridin-2-ylmethyl)imidazolidin-4-yl]-N-phenylacetamide?
The InChIKey is CPJPCSKIJZORQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O4/c1-32-20-12-7-11-19(14-20)28-23(30)21(15-22(29)26-17-8-3-2-4-9-17)27(24(28)31)16-18-10-5-6-13-25-18/h2-14,21H,15-16H2,1H3,(H,26,29).
What are the key properties of 2-[1-(3-methoxyphenyl)-2,5-dioxo-3-(pyridin-2-ylmethyl)imidazolidin-4-yl]-N-phenylacetamide?
2-[1-(3-methoxyphenyl)-2,5-dioxo-3-(pyridin-2-ylmethyl)imidazolidin-4-yl]-N-phenylacetamide has a molecular weight of 430.46 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-methoxyphenyl)-2,5-dioxo-3-(pyridin-2-ylmethyl)imidazolidin-4-yl]-N-phenylacetamide is sourced from PubChem (CID 3165084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).