2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[3-(2-pyridin-2-ylethynyl)phenyl]acetamide

C26H22N4O3 — CID 134053060

IUPAC2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[3-(2-pyridin-2-ylethynyl)phenyl]acetamide
SMILESCc1ccc(C2(C)NC(=O)N(CC(=O)Nc3cccc(C#Cc4ccccn4)c3)C2=O)cc1
InChIInChI=1S/C26H22N4O3/c1-18-9-12-20(13-10-18)26(2)24(32)30(25(33)29-26)17-23(31)28-22-8-5-6-19(16-22)11-14-21-7-3-4-15-27-21/h3-10,12-13,15-16H,17H2,1-2H3,(H,28,31)(H,29,33)
InChIKeyKMWNWUNBYPTNMH-UHFFFAOYSA-N
MW438.49 g/mol
LogP3.20
Rot. Bonds4

About 2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[3-(2-pyridin-2-ylethynyl)phenyl]acetamide

2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[3-(2-pyridin-2-ylethynyl)phenyl]acetamide (PubChem CID 134053060) has the molecular formula C26H22N4O3 and a molecular weight of 438.49 g/mol. Its IUPAC name is 2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[3-(2-pyridin-2-ylethynyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[3-(2-pyridin-2-ylethynyl)phenyl]acetamide
PubChem CID134053060
Molecular FormulaC26H22N4O3
Molecular Weight438.49 g/mol
Exact Mass438.17
IUPAC Name2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[3-(2-pyridin-2-ylethynyl)phenyl]acetamide
SMILESCc1ccc(C2(C)NC(=O)N(CC(=O)Nc3cccc(C#Cc4ccccn4)c3)C2=O)cc1
InChIInChI=1S/C26H22N4O3/c1-18-9-12-20(13-10-18)26(2)24(32)30(25(33)29-26)17-23(31)28-22-8-5-6-19(16-22)11-14-21-7-3-4-15-27-21/h3-10,12-13,15-16H,17H2,1-2H3,(H,28,31)(H,29,33)
InChIKeyKMWNWUNBYPTNMH-UHFFFAOYSA-N
XLogP3.20
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.49
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(3-methyl-2-pyridinyl)acetamide
CID 43016717
2-(3-oxo-1,4-benzothiazin-4-yl)-N-[3-(2-pyridin-2-ylethynyl)phenyl]acetamide
CID 134053094
N-(3,5-dichlorophenyl)-2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7178689
2-[(4R)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]-N-(3-methylphenyl)acetamide
CID 7595754
N-(4-fluorophenyl)-2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2581954
2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(3-methylsulfanylphenyl)acetamide
CID 2701920
2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[3-(2-pyridin-2-ylethynyl)phenyl]acetamide
CID 25349299
N-(3-amino-4-methoxyphenyl)-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide;hydrochloride
CID 119419114
N-(2-methoxyphenyl)-2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2582081
2-[4-(2-methoxy-5-methylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide
CID 71915404
N-(1,3-benzodioxol-5-yl)-2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2127023
N-(3-cyanophenyl)-2-[(4R)-4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7180072

Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[3-(2-pyridin-2-ylethynyl)phenyl]acetamide?
The IUPAC name of 2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[3-(2-pyridin-2-ylethynyl)phenyl]acetamide (CID 134053060) is 2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[3-(2-pyridin-2-ylethynyl)phenyl]acetamide.
What is the SMILES notation for 2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[3-(2-pyridin-2-ylethynyl)phenyl]acetamide?
The canonical SMILES for 2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[3-(2-pyridin-2-ylethynyl)phenyl]acetamide is Cc1ccc(C2(C)NC(=O)N(CC(=O)Nc3cccc(C#Cc4ccccn4)c3)C2=O)cc1.
What is the InChIKey of 2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[3-(2-pyridin-2-ylethynyl)phenyl]acetamide?
The InChIKey is KMWNWUNBYPTNMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4O3/c1-18-9-12-20(13-10-18)26(2)24(32)30(25(33)29-26)17-23(31)28-22-8-5-6-19(16-22)11-14-21-7-3-4-15-27-21/h3-10,12-13,15-16H,17H2,1-2H3,(H,28,31)(H,29,33).
What are the key properties of 2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[3-(2-pyridin-2-ylethynyl)phenyl]acetamide?
2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[3-(2-pyridin-2-ylethynyl)phenyl]acetamide has a molecular weight of 438.49 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[3-(2-pyridin-2-ylethynyl)phenyl]acetamide is sourced from PubChem (CID 134053060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).