N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide

C23H24ClN3O5 — CID 24571921

IUPACN-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide
SMILESCC(C)c1ccc(C2(C)NC(=O)N(CC(=O)Nc3cc4c(cc3Cl)OCCO4)C2=O)cc1
InChIInChI=1S/C23H24ClN3O5/c1-13(2)14-4-6-15(7-5-14)23(3)21(29)27(22(30)26-23)12-20(28)25-17-11-19-18(10-16(17)24)31-8-9-32-19/h4-7,10-11,13H,8-9,12H2,1-3H3,(H,25,28)(H,26,30)
InChIKeyCMWQGJAVCGYOEF-UHFFFAOYSA-N
MW457.91 g/mol
LogP3.64
Rot. Bonds5

About N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide

N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide (PubChem CID 24571921) has the molecular formula C23H24ClN3O5 and a molecular weight of 457.91 g/mol. Its IUPAC name is N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide
PubChem CID24571921
Molecular FormulaC23H24ClN3O5
Molecular Weight457.91 g/mol
Exact Mass457.14
IUPAC NameN-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide
SMILESCC(C)c1ccc(C2(C)NC(=O)N(CC(=O)Nc3cc4c(cc3Cl)OCCO4)C2=O)cc1
InChIInChI=1S/C23H24ClN3O5/c1-13(2)14-4-6-15(7-5-14)23(3)21(29)27(22(30)26-23)12-20(28)25-17-11-19-18(10-16(17)24)31-8-9-32-19/h4-7,10-11,13H,8-9,12H2,1-3H3,(H,25,28)(H,26,30)
InChIKeyCMWQGJAVCGYOEF-UHFFFAOYSA-N
XLogP3.64
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.91
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[(4R)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide
CID 40987501
N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[(4S)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide
CID 40987511
N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[(4S)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide
CID 40987505
N-(2-chlorophenyl)-2-[(4R)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7962311
N-(2,4-dichlorophenyl)-2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 45354693
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 24565800
2-[4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]-N-(2-methylphenyl)acetamide
CID 78509718
N-(4-chloro-2-fluorophenyl)-2-[(4R)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 40942530
(5S)-3-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxoethyl]-5-methyl-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione
CID 8625120
N-(2-chloro-3-pyridinyl)-2-[(4S)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7962023
N-(3-chloro-4-fluorophenyl)-2-[4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide
CID 55327744
N-(4-bromo-2-methylphenyl)-2-[4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide
CID 46816450

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide?
The IUPAC name of N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide (CID 24571921) is N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide.
What is the SMILES notation for N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide?
The canonical SMILES for N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide is CC(C)c1ccc(C2(C)NC(=O)N(CC(=O)Nc3cc4c(cc3Cl)OCCO4)C2=O)cc1.
What is the InChIKey of N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide?
The InChIKey is CMWQGJAVCGYOEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O5/c1-13(2)14-4-6-15(7-5-14)23(3)21(29)27(22(30)26-23)12-20(28)25-17-11-19-18(10-16(17)24)31-8-9-32-19/h4-7,10-11,13H,8-9,12H2,1-3H3,(H,25,28)(H,26,30).
What are the key properties of N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide?
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide has a molecular weight of 457.91 g/mol, XLogP of 3.64, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide is sourced from PubChem (CID 24571921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).