2-(4-butyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[(2,4-dichlorophenyl)methyl]acetamide

C22H23Cl2N3O3 — CID 3997132

IUPAC2-(4-butyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[(2,4-dichlorophenyl)methyl]acetamide
SMILESCCCCC1(c2ccccc2)NC(=O)N(CC(=O)NCc2ccc(Cl)cc2Cl)C1=O
InChIInChI=1S/C22H23Cl2N3O3/c1-2-3-11-22(16-7-5-4-6-8-16)20(29)27(21(30)26-22)14-19(28)25-13-15-9-10-17(23)12-18(15)24/h4-10,12H,2-3,11,13-14H2,1H3,(H,25,28)(H,26,30)
InChIKeyRDBIWBYMQZAQFO-UHFFFAOYSA-N
MW448.35 g/mol
LogP4.25
Rot. Bonds8

About 2-(4-butyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[(2,4-dichlorophenyl)methyl]acetamide

2-(4-butyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[(2,4-dichlorophenyl)methyl]acetamide (PubChem CID 3997132) has the molecular formula C22H23Cl2N3O3 and a molecular weight of 448.35 g/mol. Its IUPAC name is 2-(4-butyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[(2,4-dichlorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-butyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[(2,4-dichlorophenyl)methyl]acetamide
PubChem CID3997132
Molecular FormulaC22H23Cl2N3O3
Molecular Weight448.35 g/mol
Exact Mass447.11
IUPAC Name2-(4-butyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[(2,4-dichlorophenyl)methyl]acetamide
SMILESCCCCC1(c2ccccc2)NC(=O)N(CC(=O)NCc2ccc(Cl)cc2Cl)C1=O
InChIInChI=1S/C22H23Cl2N3O3/c1-2-3-11-22(16-7-5-4-6-8-16)20(29)27(21(30)26-22)14-19(28)25-13-15-9-10-17(23)12-18(15)24/h4-10,12H,2-3,11,13-14H2,1H3,(H,25,28)(H,26,30)
InChIKeyRDBIWBYMQZAQFO-UHFFFAOYSA-N
XLogP4.25
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.35
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[(2,4-dichlorophenyl)methyl]acetamide?
The IUPAC name of 2-(4-butyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[(2,4-dichlorophenyl)methyl]acetamide (CID 3997132) is 2-(4-butyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[(2,4-dichlorophenyl)methyl]acetamide.
What is the SMILES notation for 2-(4-butyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[(2,4-dichlorophenyl)methyl]acetamide?
The canonical SMILES for 2-(4-butyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[(2,4-dichlorophenyl)methyl]acetamide is CCCCC1(c2ccccc2)NC(=O)N(CC(=O)NCc2ccc(Cl)cc2Cl)C1=O.
What is the InChIKey of 2-(4-butyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[(2,4-dichlorophenyl)methyl]acetamide?
The InChIKey is RDBIWBYMQZAQFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23Cl2N3O3/c1-2-3-11-22(16-7-5-4-6-8-16)20(29)27(21(30)26-22)14-19(28)25-13-15-9-10-17(23)12-18(15)24/h4-10,12H,2-3,11,13-14H2,1H3,(H,25,28)(H,26,30).
What are the key properties of 2-(4-butyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[(2,4-dichlorophenyl)methyl]acetamide?
2-(4-butyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[(2,4-dichlorophenyl)methyl]acetamide has a molecular weight of 448.35 g/mol, XLogP of 4.25, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[(2,4-dichlorophenyl)methyl]acetamide is sourced from PubChem (CID 3997132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).