2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-(1,2,4-triazol-1-yl)phenyl]acetamide

C21H20N6O4 — CID 55567215

IUPAC2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-(1,2,4-triazol-1-yl)phenyl]acetamide
SMILESCOc1ccc(C2(C)NC(=O)N(CC(=O)Nc3ccc(-n4cncn4)cc3)C2=O)cc1
InChIInChI=1S/C21H20N6O4/c1-21(14-3-9-17(31-2)10-4-14)19(29)26(20(30)25-21)11-18(28)24-15-5-7-16(8-6-15)27-13-22-12-23-27/h3-10,12-13H,11H2,1-2H3,(H,24,28)(H,25,30)
InChIKeyVGRKTOXCJQTJLR-UHFFFAOYSA-N
MW420.43 g/mol
LogP1.68
Rot. Bonds6

About 2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-(1,2,4-triazol-1-yl)phenyl]acetamide

2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-(1,2,4-triazol-1-yl)phenyl]acetamide (PubChem CID 55567215) has the molecular formula C21H20N6O4 and a molecular weight of 420.43 g/mol. Its IUPAC name is 2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-(1,2,4-triazol-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-(1,2,4-triazol-1-yl)phenyl]acetamide
PubChem CID55567215
Molecular FormulaC21H20N6O4
Molecular Weight420.43 g/mol
Exact Mass420.15
IUPAC Name2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-(1,2,4-triazol-1-yl)phenyl]acetamide
SMILESCOc1ccc(C2(C)NC(=O)N(CC(=O)Nc3ccc(-n4cncn4)cc3)C2=O)cc1
InChIInChI=1S/C21H20N6O4/c1-21(14-3-9-17(31-2)10-4-14)19(29)26(20(30)25-21)11-18(28)24-15-5-7-16(8-6-15)27-13-22-12-23-27/h3-10,12-13H,11H2,1-2H3,(H,24,28)(H,25,30)
InChIKeyVGRKTOXCJQTJLR-UHFFFAOYSA-N
XLogP1.68
TPSA118.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.43
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[(4R)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 40857215
N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-[(4S)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 40857219
[2-(4-methoxyanilino)-2-oxoethyl] 2-[(4R)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 92786512
N-[4-(1-adamantyl)phenyl]-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 46560966
butyl 4-[[2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzoate
CID 24672758
2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(4-methoxyphenyl)carbamoyl]acetamide
CID 40842811
2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(phenylcarbamoyl)acetamide
CID 55419227
N-[3-(carbamoylamino)phenyl]-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 55539585
2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
CID 92786787
N-(3,4-dipropoxyphenyl)-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 43000350
2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 42964296
2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 42898026

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-(1,2,4-triazol-1-yl)phenyl]acetamide?
The IUPAC name of 2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-(1,2,4-triazol-1-yl)phenyl]acetamide (CID 55567215) is 2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-(1,2,4-triazol-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-(1,2,4-triazol-1-yl)phenyl]acetamide?
The canonical SMILES for 2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-(1,2,4-triazol-1-yl)phenyl]acetamide is COc1ccc(C2(C)NC(=O)N(CC(=O)Nc3ccc(-n4cncn4)cc3)C2=O)cc1.
What is the InChIKey of 2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-(1,2,4-triazol-1-yl)phenyl]acetamide?
The InChIKey is VGRKTOXCJQTJLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O4/c1-21(14-3-9-17(31-2)10-4-14)19(29)26(20(30)25-21)11-18(28)24-15-5-7-16(8-6-15)27-13-22-12-23-27/h3-10,12-13H,11H2,1-2H3,(H,24,28)(H,25,30).
What are the key properties of 2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-(1,2,4-triazol-1-yl)phenyl]acetamide?
2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-(1,2,4-triazol-1-yl)phenyl]acetamide has a molecular weight of 420.43 g/mol, XLogP of 1.68, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-(1,2,4-triazol-1-yl)phenyl]acetamide is sourced from PubChem (CID 55567215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).