2-[2,5-dioxo-4-[(4-pyrrolidin-1-ylphenyl)methylidene]imidazolidin-1-yl]-N-phenylacetamide

C22H22N4O3 — CID 4585152

IUPAC2-[2,5-dioxo-4-[(4-pyrrolidin-1-ylphenyl)methylidene]imidazolidin-1-yl]-N-phenylacetamide
SMILESO=C(CN1C(=O)NC(=Cc2ccc(N3CCCC3)cc2)C1=O)Nc1ccccc1
InChIInChI=1S/C22H22N4O3/c27-20(23-17-6-2-1-3-7-17)15-26-21(28)19(24-22(26)29)14-16-8-10-18(11-9-16)25-12-4-5-13-25/h1-3,6-11,14H,4-5,12-13,15H2,(H,23,27)(H,24,29)
InChIKeyGYLWDLKPEKVTMO-UHFFFAOYSA-N
MW390.44 g/mol
LogP2.82
Rot. Bonds5

About 2-[2,5-dioxo-4-[(4-pyrrolidin-1-ylphenyl)methylidene]imidazolidin-1-yl]-N-phenylacetamide

2-[2,5-dioxo-4-[(4-pyrrolidin-1-ylphenyl)methylidene]imidazolidin-1-yl]-N-phenylacetamide (PubChem CID 4585152) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is 2-[2,5-dioxo-4-[(4-pyrrolidin-1-ylphenyl)methylidene]imidazolidin-1-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[2,5-dioxo-4-[(4-pyrrolidin-1-ylphenyl)methylidene]imidazolidin-1-yl]-N-phenylacetamide
PubChem CID4585152
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC Name2-[2,5-dioxo-4-[(4-pyrrolidin-1-ylphenyl)methylidene]imidazolidin-1-yl]-N-phenylacetamide
SMILESO=C(CN1C(=O)NC(=Cc2ccc(N3CCCC3)cc2)C1=O)Nc1ccccc1
InChIInChI=1S/C22H22N4O3/c27-20(23-17-6-2-1-3-7-17)15-26-21(28)19(24-22(26)29)14-16-8-10-18(11-9-16)25-12-4-5-13-25/h1-3,6-11,14H,4-5,12-13,15H2,(H,23,27)(H,24,29)
InChIKeyGYLWDLKPEKVTMO-UHFFFAOYSA-N
XLogP2.82
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(4-chlorophenyl)-2-[2,5-dioxo-4-[(4-pyrrolidin-1-ylphenyl)methylidene]imidazolidin-1-yl]acetamide
CID 4009588
2-[2,5-dioxo-4-[(4-pyrrolidin-1-ylphenyl)methylidene]imidazolidin-1-yl]-N-(2-methylphenyl)acetamide
CID 3331969
2-[(4Z)-2,5-dioxo-4-[(4-piperidin-1-ylphenyl)methylidene]imidazolidin-1-yl]-N-(2-methylphenyl)acetamide
CID 46499448
2-[(4Z)-4-[(4-chlorophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide
CID 19256098
N-(4-chlorophenyl)-2-[(4E)-4-[(4-morpholin-4-ylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
CID 6382274
N-(3-methylphenyl)-2-[(4E)-4-[(4-morpholin-4-ylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7943296
N-(3-methylphenyl)-2-[4-[(4-morpholin-4-ylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
CID 3372624
2-[(4Z)-4-[[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide
CID 126235840
N-(4-chlorophenyl)-2-[4-[(3-fluoro-4-pyrrolidin-1-ylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
CID 4240703
2-[(4Z)-4-benzylidene-2,5-dioxoimidazolidin-1-yl]-N-(4-nitrophenyl)acetamide
CID 16632905
2-[(4Z)-2,5-dioxo-4-[(4-phenylphenyl)methylidene]imidazolidin-1-yl]-N-(3-methylphenyl)acetamide
CID 16632657
2-[(4Z)-4-[(5-methyl-1-phenylpyrrol-2-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide
CID 50856585

Frequently Asked Questions

What is the IUPAC name of 2-[2,5-dioxo-4-[(4-pyrrolidin-1-ylphenyl)methylidene]imidazolidin-1-yl]-N-phenylacetamide?
The IUPAC name of 2-[2,5-dioxo-4-[(4-pyrrolidin-1-ylphenyl)methylidene]imidazolidin-1-yl]-N-phenylacetamide (CID 4585152) is 2-[2,5-dioxo-4-[(4-pyrrolidin-1-ylphenyl)methylidene]imidazolidin-1-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[2,5-dioxo-4-[(4-pyrrolidin-1-ylphenyl)methylidene]imidazolidin-1-yl]-N-phenylacetamide?
The canonical SMILES for 2-[2,5-dioxo-4-[(4-pyrrolidin-1-ylphenyl)methylidene]imidazolidin-1-yl]-N-phenylacetamide is O=C(CN1C(=O)NC(=Cc2ccc(N3CCCC3)cc2)C1=O)Nc1ccccc1.
What is the InChIKey of 2-[2,5-dioxo-4-[(4-pyrrolidin-1-ylphenyl)methylidene]imidazolidin-1-yl]-N-phenylacetamide?
The InChIKey is GYLWDLKPEKVTMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c27-20(23-17-6-2-1-3-7-17)15-26-21(28)19(24-22(26)29)14-16-8-10-18(11-9-16)25-12-4-5-13-25/h1-3,6-11,14H,4-5,12-13,15H2,(H,23,27)(H,24,29).
What are the key properties of 2-[2,5-dioxo-4-[(4-pyrrolidin-1-ylphenyl)methylidene]imidazolidin-1-yl]-N-phenylacetamide?
2-[2,5-dioxo-4-[(4-pyrrolidin-1-ylphenyl)methylidene]imidazolidin-1-yl]-N-phenylacetamide has a molecular weight of 390.44 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,5-dioxo-4-[(4-pyrrolidin-1-ylphenyl)methylidene]imidazolidin-1-yl]-N-phenylacetamide is sourced from PubChem (CID 4585152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).