2-[(4Z)-4-[(5-methyl-1-phenylpyrrol-2-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide

C23H20N4O3 — CID 50856585

IUPAC2-[(4Z)-4-[(5-methyl-1-phenylpyrrol-2-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide
SMILESCc1ccc(/C=C2\NC(=O)N(CC(=O)Nc3ccccc3)C2=O)n1-c1ccccc1
InChIInChI=1S/C23H20N4O3/c1-16-12-13-19(27(16)18-10-6-3-7-11-18)14-20-22(29)26(23(30)25-20)15-21(28)24-17-8-4-2-5-9-17/h2-14H,15H2,1H3,(H,24,28)(H,25,30)/b20-14-
InChIKeyFSAABBSBWHYHTM-ZHZULCJRSA-N
MW400.44 g/mol
LogP3.32
Rot. Bonds5

About 2-[(4Z)-4-[(5-methyl-1-phenylpyrrol-2-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide

2-[(4Z)-4-[(5-methyl-1-phenylpyrrol-2-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide (PubChem CID 50856585) has the molecular formula C23H20N4O3 and a molecular weight of 400.44 g/mol. Its IUPAC name is 2-[(4Z)-4-[(5-methyl-1-phenylpyrrol-2-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[(4Z)-4-[(5-methyl-1-phenylpyrrol-2-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide
PubChem CID50856585
Molecular FormulaC23H20N4O3
Molecular Weight400.44 g/mol
Exact Mass400.15
IUPAC Name2-[(4Z)-4-[(5-methyl-1-phenylpyrrol-2-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide
SMILESCc1ccc(/C=C2\NC(=O)N(CC(=O)Nc3ccccc3)C2=O)n1-c1ccccc1
InChIInChI=1S/C23H20N4O3/c1-16-12-13-19(27(16)18-10-6-3-7-11-18)14-20-22(29)26(23(30)25-20)15-21(28)24-17-8-4-2-5-9-17/h2-14H,15H2,1H3,(H,24,28)(H,25,30)/b20-14-
InChIKeyFSAABBSBWHYHTM-ZHZULCJRSA-N
XLogP3.32
TPSA83.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[(4Z)-4-[(1,5-dimethylpyrrol-2-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-fluorophenyl)acetamide
CID 50855848
2-[(4Z)-4-[(4-chlorophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide
CID 19256098
2-[2,5-dioxo-4-[(4-pyrrolidin-1-ylphenyl)methylidene]imidazolidin-1-yl]-N-phenylacetamide
CID 4585152
2-[(4Z)-4-[(1,5-dimethylpyrrol-2-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-methylphenyl)acetamide
CID 50855835
2-[(4Z)-4-[[1-(4-methoxyphenyl)pyrrol-2-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide
CID 46499443
2-[4-[[4-(4-chlorophenyl)phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide
CID 77425794
2-[(4Z)-2,5-dioxo-4-[(4-phenylphenyl)methylidene]imidazolidin-1-yl]-N-(3-methylphenyl)acetamide
CID 16632657
N-(4-methylphenyl)-2-[(4Z)-4-[(2-methylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
CID 19256101
N-(4-chlorophenyl)-2-[(4Z)-4-[(2-methylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
CID 16632724
ethyl 4-[[2-[(4Z)-4-benzylidene-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzoate
CID 16632824
(2R)-2-[4-[(Z)-[1-(2-anilino-2-oxoethyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]-2-methoxyphenoxy]propanoic acid
CID 126016097
4-[2-[(E)-[1-[2-(3-methylanilino)-2-oxoethyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]pyrrol-1-yl]benzoic acid
CID 6525850

Frequently Asked Questions

What is the IUPAC name of 2-[(4Z)-4-[(5-methyl-1-phenylpyrrol-2-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide?
The IUPAC name of 2-[(4Z)-4-[(5-methyl-1-phenylpyrrol-2-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide (CID 50856585) is 2-[(4Z)-4-[(5-methyl-1-phenylpyrrol-2-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[(4Z)-4-[(5-methyl-1-phenylpyrrol-2-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide?
The canonical SMILES for 2-[(4Z)-4-[(5-methyl-1-phenylpyrrol-2-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide is Cc1ccc(/C=C2\NC(=O)N(CC(=O)Nc3ccccc3)C2=O)n1-c1ccccc1.
What is the InChIKey of 2-[(4Z)-4-[(5-methyl-1-phenylpyrrol-2-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide?
The InChIKey is FSAABBSBWHYHTM-ZHZULCJRSA-N. The full InChI is InChI=1S/C23H20N4O3/c1-16-12-13-19(27(16)18-10-6-3-7-11-18)14-20-22(29)26(23(30)25-20)15-21(28)24-17-8-4-2-5-9-17/h2-14H,15H2,1H3,(H,24,28)(H,25,30)/b20-14-.
What are the key properties of 2-[(4Z)-4-[(5-methyl-1-phenylpyrrol-2-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide?
2-[(4Z)-4-[(5-methyl-1-phenylpyrrol-2-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide has a molecular weight of 400.44 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4Z)-4-[(5-methyl-1-phenylpyrrol-2-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide is sourced from PubChem (CID 50856585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).