N-(2-cyclopentylpyrazol-3-yl)-2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide

C20H21Cl2N5O3 — CID 46583141

IUPACN-(2-cyclopentylpyrazol-3-yl)-2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCC1(c2ccc(Cl)cc2Cl)NC(=O)N(CC(=O)Nc2ccnn2C2CCCC2)C1=O
InChIInChI=1S/C20H21Cl2N5O3/c1-20(14-7-6-12(21)10-15(14)22)18(29)26(19(30)25-20)11-17(28)24-16-8-9-23-27(16)13-4-2-3-5-13/h6-10,13H,2-5,11H2,1H3,(H,24,28)(H,25,30)
InChIKeyRQJLXWWXHHQGGF-UHFFFAOYSA-N
MW450.33 g/mol
LogP3.71
Rot. Bonds5

About N-(2-cyclopentylpyrazol-3-yl)-2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide

N-(2-cyclopentylpyrazol-3-yl)-2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 46583141) has the molecular formula C20H21Cl2N5O3 and a molecular weight of 450.33 g/mol. Its IUPAC name is N-(2-cyclopentylpyrazol-3-yl)-2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-cyclopentylpyrazol-3-yl)-2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
PubChem CID46583141
Molecular FormulaC20H21Cl2N5O3
Molecular Weight450.33 g/mol
Exact Mass449.10
IUPAC NameN-(2-cyclopentylpyrazol-3-yl)-2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCC1(c2ccc(Cl)cc2Cl)NC(=O)N(CC(=O)Nc2ccnn2C2CCCC2)C1=O
InChIInChI=1S/C20H21Cl2N5O3/c1-20(14-7-6-12(21)10-15(14)22)18(29)26(19(30)25-20)11-17(28)24-16-8-9-23-27(16)13-4-2-3-5-13/h6-10,13H,2-5,11H2,1H3,(H,24,28)(H,25,30)
InChIKeyRQJLXWWXHHQGGF-UHFFFAOYSA-N
XLogP3.71
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.33
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-cyclopentylpyrazol-3-yl)acetamide
CID 43022359
N-(2-chlorophenyl)-2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 4966212
2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide
CID 42982801
2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3,4-difluorophenyl)acetamide
CID 5154012
2-[(4S)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 2081835
N-(1,3-benzodioxol-5-yl)-2-[(4S)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2703032
N-[4-(azepan-1-yl)phenyl]-2-[(4S)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 41139200
(5R)-5-(2,4-dichlorophenyl)-3-[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 2703074
2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide
CID 4532304
(5S)-5-(2,4-dichlorophenyl)-5-methyl-3-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 7264423
ethyl N-[2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]carbamate
CID 5138739
2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-fluorophenyl)acetamide
CID 4967480

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentylpyrazol-3-yl)-2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-(2-cyclopentylpyrazol-3-yl)-2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide (CID 46583141) is N-(2-cyclopentylpyrazol-3-yl)-2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-(2-cyclopentylpyrazol-3-yl)-2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-(2-cyclopentylpyrazol-3-yl)-2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide is CC1(c2ccc(Cl)cc2Cl)NC(=O)N(CC(=O)Nc2ccnn2C2CCCC2)C1=O.
What is the InChIKey of N-(2-cyclopentylpyrazol-3-yl)-2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The InChIKey is RQJLXWWXHHQGGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Cl2N5O3/c1-20(14-7-6-12(21)10-15(14)22)18(29)26(19(30)25-20)11-17(28)24-16-8-9-23-27(16)13-4-2-3-5-13/h6-10,13H,2-5,11H2,1H3,(H,24,28)(H,25,30).
What are the key properties of N-(2-cyclopentylpyrazol-3-yl)-2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
N-(2-cyclopentylpyrazol-3-yl)-2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 450.33 g/mol, XLogP of 3.71, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentylpyrazol-3-yl)-2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 46583141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).