2-(4-butyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(3-chloro-4-cyanophenyl)acetamide

C22H21ClN4O3 — CID 4880954

IUPAC2-(4-butyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(3-chloro-4-cyanophenyl)acetamide
SMILESCCCCC1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc(C#N)c(Cl)c2)C1=O
InChIInChI=1S/C22H21ClN4O3/c1-2-3-11-22(16-7-5-4-6-8-16)20(29)27(21(30)26-22)14-19(28)25-17-10-9-15(13-24)18(23)12-17/h4-10,12H,2-3,11,14H2,1H3,(H,25,28)(H,26,30)
InChIKeyATHRYBRHCHOQMY-UHFFFAOYSA-N
MW424.89 g/mol
LogP3.79
Rot. Bonds7

About 2-(4-butyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(3-chloro-4-cyanophenyl)acetamide

2-(4-butyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(3-chloro-4-cyanophenyl)acetamide (PubChem CID 4880954) has the molecular formula C22H21ClN4O3 and a molecular weight of 424.89 g/mol. Its IUPAC name is 2-(4-butyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(3-chloro-4-cyanophenyl)acetamide.

Molecular Properties

Compound Name2-(4-butyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(3-chloro-4-cyanophenyl)acetamide
PubChem CID4880954
Molecular FormulaC22H21ClN4O3
Molecular Weight424.89 g/mol
Exact Mass424.13
IUPAC Name2-(4-butyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(3-chloro-4-cyanophenyl)acetamide
SMILESCCCCC1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc(C#N)c(Cl)c2)C1=O
InChIInChI=1S/C22H21ClN4O3/c1-2-3-11-22(16-7-5-4-6-8-16)20(29)27(21(30)26-22)14-19(28)25-17-10-9-15(13-24)18(23)12-17/h4-10,12H,2-3,11,14H2,1H3,(H,25,28)(H,26,30)
InChIKeyATHRYBRHCHOQMY-UHFFFAOYSA-N
XLogP3.79
TPSA102.30 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.89
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-butyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(3-chloro-4-cyanophenyl)acetamide?
The IUPAC name of 2-(4-butyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(3-chloro-4-cyanophenyl)acetamide (CID 4880954) is 2-(4-butyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(3-chloro-4-cyanophenyl)acetamide.
What is the SMILES notation for 2-(4-butyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(3-chloro-4-cyanophenyl)acetamide?
The canonical SMILES for 2-(4-butyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(3-chloro-4-cyanophenyl)acetamide is CCCCC1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc(C#N)c(Cl)c2)C1=O.
What is the InChIKey of 2-(4-butyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(3-chloro-4-cyanophenyl)acetamide?
The InChIKey is ATHRYBRHCHOQMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN4O3/c1-2-3-11-22(16-7-5-4-6-8-16)20(29)27(21(30)26-22)14-19(28)25-17-10-9-15(13-24)18(23)12-17/h4-10,12H,2-3,11,14H2,1H3,(H,25,28)(H,26,30).
What are the key properties of 2-(4-butyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(3-chloro-4-cyanophenyl)acetamide?
2-(4-butyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(3-chloro-4-cyanophenyl)acetamide has a molecular weight of 424.89 g/mol, XLogP of 3.79, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(3-chloro-4-cyanophenyl)acetamide is sourced from PubChem (CID 4880954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).