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

C22H21ClN4O3 — CID 4009588

IUPACN-(4-chlorophenyl)-2-[2,5-dioxo-4-[(4-pyrrolidin-1-ylphenyl)methylidene]imidazolidin-1-yl]acetamide
SMILESO=C(CN1C(=O)NC(=Cc2ccc(N3CCCC3)cc2)C1=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C22H21ClN4O3/c23-16-5-7-17(8-6-16)24-20(28)14-27-21(29)19(25-22(27)30)13-15-3-9-18(10-4-15)26-11-1-2-12-26/h3-10,13H,1-2,11-12,14H2,(H,24,28)(H,25,30)
InChIKeyTVVXOCKFEIPFOH-UHFFFAOYSA-N
MW424.89 g/mol
LogP3.47
Rot. Bonds5

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

N-(4-chlorophenyl)-2-[2,5-dioxo-4-[(4-pyrrolidin-1-ylphenyl)methylidene]imidazolidin-1-yl]acetamide (PubChem CID 4009588) has the molecular formula C22H21ClN4O3 and a molecular weight of 424.89 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[2,5-dioxo-4-[(4-pyrrolidin-1-ylphenyl)methylidene]imidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[2,5-dioxo-4-[(4-pyrrolidin-1-ylphenyl)methylidene]imidazolidin-1-yl]acetamide
PubChem CID4009588
Molecular FormulaC22H21ClN4O3
Molecular Weight424.89 g/mol
Exact Mass424.13
IUPAC NameN-(4-chlorophenyl)-2-[2,5-dioxo-4-[(4-pyrrolidin-1-ylphenyl)methylidene]imidazolidin-1-yl]acetamide
SMILESO=C(CN1C(=O)NC(=Cc2ccc(N3CCCC3)cc2)C1=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C22H21ClN4O3/c23-16-5-7-17(8-6-16)24-20(28)14-27-21(29)19(25-22(27)30)13-15-3-9-18(10-4-15)26-11-1-2-12-26/h3-10,13H,1-2,11-12,14H2,(H,24,28)(H,25,30)
InChIKeyTVVXOCKFEIPFOH-UHFFFAOYSA-N
XLogP3.47
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.89
LogP ≤ 53.47
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-[(4E)-4-[(4-morpholin-4-ylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
CID 6382274
2-[2,5-dioxo-4-[(4-pyrrolidin-1-ylphenyl)methylidene]imidazolidin-1-yl]-N-phenylacetamide
CID 4585152
N-(4-chlorophenyl)-2-[4-[(3-fluoro-4-pyrrolidin-1-ylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
CID 4240703
2-[(4Z)-4-[(4-chlorophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide
CID 19256098
2-[4-[[4-(4-chlorophenyl)phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide
CID 77425794
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
N-(4-chlorophenyl)-3-[(4Z)-4-[(4-chlorophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]propanamide
CID 6229399
2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 113201573
N-(4-chlorophenyl)-2-[(4Z)-4-[(2,3-dichlorophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
CID 16632719
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

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[2,5-dioxo-4-[(4-pyrrolidin-1-ylphenyl)methylidene]imidazolidin-1-yl]acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[2,5-dioxo-4-[(4-pyrrolidin-1-ylphenyl)methylidene]imidazolidin-1-yl]acetamide (CID 4009588) is N-(4-chlorophenyl)-2-[2,5-dioxo-4-[(4-pyrrolidin-1-ylphenyl)methylidene]imidazolidin-1-yl]acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[2,5-dioxo-4-[(4-pyrrolidin-1-ylphenyl)methylidene]imidazolidin-1-yl]acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[2,5-dioxo-4-[(4-pyrrolidin-1-ylphenyl)methylidene]imidazolidin-1-yl]acetamide is O=C(CN1C(=O)NC(=Cc2ccc(N3CCCC3)cc2)C1=O)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-[2,5-dioxo-4-[(4-pyrrolidin-1-ylphenyl)methylidene]imidazolidin-1-yl]acetamide?
The InChIKey is TVVXOCKFEIPFOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN4O3/c23-16-5-7-17(8-6-16)24-20(28)14-27-21(29)19(25-22(27)30)13-15-3-9-18(10-4-15)26-11-1-2-12-26/h3-10,13H,1-2,11-12,14H2,(H,24,28)(H,25,30).
What are the key properties of N-(4-chlorophenyl)-2-[2,5-dioxo-4-[(4-pyrrolidin-1-ylphenyl)methylidene]imidazolidin-1-yl]acetamide?
N-(4-chlorophenyl)-2-[2,5-dioxo-4-[(4-pyrrolidin-1-ylphenyl)methylidene]imidazolidin-1-yl]acetamide has a molecular weight of 424.89 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[2,5-dioxo-4-[(4-pyrrolidin-1-ylphenyl)methylidene]imidazolidin-1-yl]acetamide is sourced from PubChem (CID 4009588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).