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

C23H20N4O4 — CID 46499443

IUPAC2-[(4Z)-4-[[1-(4-methoxyphenyl)pyrrol-2-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide
SMILESCOc1ccc(-n2cccc2/C=C2\NC(=O)N(CC(=O)Nc3ccccc3)C2=O)cc1
InChIInChI=1S/C23H20N4O4/c1-31-19-11-9-17(10-12-19)26-13-5-8-18(26)14-20-22(29)27(23(30)25-20)15-21(28)24-16-6-3-2-4-7-16/h2-14H,15H2,1H3,(H,24,28)(H,25,30)/b20-14-
InChIKeyWESMZGFLMAASFQ-ZHZULCJRSA-N
MW416.44 g/mol
LogP3.02
Rot. Bonds6

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

2-[(4Z)-4-[[1-(4-methoxyphenyl)pyrrol-2-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide (PubChem CID 46499443) has the molecular formula C23H20N4O4 and a molecular weight of 416.44 g/mol. Its IUPAC name is 2-[(4Z)-4-[[1-(4-methoxyphenyl)pyrrol-2-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[(4Z)-4-[[1-(4-methoxyphenyl)pyrrol-2-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide
PubChem CID46499443
Molecular FormulaC23H20N4O4
Molecular Weight416.44 g/mol
Exact Mass416.15
IUPAC Name2-[(4Z)-4-[[1-(4-methoxyphenyl)pyrrol-2-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide
SMILESCOc1ccc(-n2cccc2/C=C2\NC(=O)N(CC(=O)Nc3ccccc3)C2=O)cc1
InChIInChI=1S/C23H20N4O4/c1-31-19-11-9-17(10-12-19)26-13-5-8-18(26)14-20-22(29)27(23(30)25-20)15-21(28)24-16-6-3-2-4-7-16/h2-14H,15H2,1H3,(H,24,28)(H,25,30)/b20-14-
InChIKeyWESMZGFLMAASFQ-ZHZULCJRSA-N
XLogP3.02
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.44
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

N-(2-methoxyphenyl)-2-[(4E)-4-[[1-(4-methylphenyl)pyrrol-2-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
CID 126244413
4-[2-[(E)-[1-[2-(3-methylanilino)-2-oxoethyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]pyrrol-1-yl]benzoic acid
CID 6525850
2-[(4Z)-2,5-dioxo-4-(thiophen-2-ylmethylidene)imidazolidin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 16632775
N-(4-methoxyphenyl)-2-[(5Z)-5-[(1-naphthalen-2-ylpyrrol-2-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
CID 21374639
2-[(4Z)-4-[(5-methyl-1-phenylpyrrol-2-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide
CID 50856585
N-(3-methylphenyl)-2-[(4E)-4-[[1-(2-methylphenyl)pyrrol-2-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
CID 126110470
2-[4-[[1-(2,4-dimethylphenyl)pyrrol-2-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide
CID 5012476
2-[(4Z)-4-[[1-(3-bromophenyl)pyrrol-2-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 126025884
3-[2-[(Z)-[3-[2-(4-methoxyanilino)-2-oxoethyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]pyrrol-1-yl]benzoic acid
CID 94841658
2-[(4E)-4-[[1-(3-chloro-4-methylphenyl)pyrrol-2-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-ethylphenyl)acetamide
CID 126240800
N-(4-methoxyphenyl)-2-[(4Z)-4-[[4-(4-methylphenyl)sulfanylphenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
CID 126229568
N-(4-ethoxyphenyl)-2-[(4Z)-4-[(2-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
CID 16632809

Frequently Asked Questions

What is the IUPAC name of 2-[(4Z)-4-[[1-(4-methoxyphenyl)pyrrol-2-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide?
The IUPAC name of 2-[(4Z)-4-[[1-(4-methoxyphenyl)pyrrol-2-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide (CID 46499443) is 2-[(4Z)-4-[[1-(4-methoxyphenyl)pyrrol-2-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[(4Z)-4-[[1-(4-methoxyphenyl)pyrrol-2-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide?
The canonical SMILES for 2-[(4Z)-4-[[1-(4-methoxyphenyl)pyrrol-2-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide is COc1ccc(-n2cccc2/C=C2\NC(=O)N(CC(=O)Nc3ccccc3)C2=O)cc1.
What is the InChIKey of 2-[(4Z)-4-[[1-(4-methoxyphenyl)pyrrol-2-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide?
The InChIKey is WESMZGFLMAASFQ-ZHZULCJRSA-N. The full InChI is InChI=1S/C23H20N4O4/c1-31-19-11-9-17(10-12-19)26-13-5-8-18(26)14-20-22(29)27(23(30)25-20)15-21(28)24-16-6-3-2-4-7-16/h2-14H,15H2,1H3,(H,24,28)(H,25,30)/b20-14-.
What are the key properties of 2-[(4Z)-4-[[1-(4-methoxyphenyl)pyrrol-2-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide?
2-[(4Z)-4-[[1-(4-methoxyphenyl)pyrrol-2-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide has a molecular weight of 416.44 g/mol, XLogP of 3.02, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4Z)-4-[[1-(4-methoxyphenyl)pyrrol-2-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide is sourced from PubChem (CID 46499443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).