2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide

C24H25N5O3 — CID 134000848

IUPAC2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide
SMILESCc1ccc(C2(C)NC(=O)N(CC(=O)NCCc3cnn(-c4ccccc4)c3)C2=O)cc1
InChIInChI=1S/C24H25N5O3/c1-17-8-10-19(11-9-17)24(2)22(31)28(23(32)27-24)16-21(30)25-13-12-18-14-26-29(15-18)20-6-4-3-5-7-20/h3-11,14-15H,12-13,16H2,1-2H3,(H,25,30)(H,27,32)
InChIKeyFFBRWIBJFYEEML-UHFFFAOYSA-N
MW431.50 g/mol
LogP2.31
Rot. Bonds7

About 2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide

2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide (PubChem CID 134000848) has the molecular formula C24H25N5O3 and a molecular weight of 431.50 g/mol. Its IUPAC name is 2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide
PubChem CID134000848
Molecular FormulaC24H25N5O3
Molecular Weight431.50 g/mol
Exact Mass431.20
IUPAC Name2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide
SMILESCc1ccc(C2(C)NC(=O)N(CC(=O)NCCc3cnn(-c4ccccc4)c3)C2=O)cc1
InChIInChI=1S/C24H25N5O3/c1-17-8-10-19(11-9-17)24(2)22(31)28(23(32)27-24)16-21(30)25-13-12-18-14-26-29(15-18)20-6-4-3-5-7-20/h3-11,14-15H,12-13,16H2,1-2H3,(H,25,30)(H,27,32)
InChIKeyFFBRWIBJFYEEML-UHFFFAOYSA-N
XLogP2.31
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 52.31
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-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide
CID 134000677
N-methyl-2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 92786816
2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide
CID 42964323
2-(1-methylidene-3-oxoisoindol-2-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide
CID 16613855
2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-pentylacetamide
CID 40748614
2-(2-methylphenyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide
CID 134000703
2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide
CID 55505000
2-[(4R)-4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-phenylethyl)acetamide
CID 2703290
2-[4-(3,4-dimethoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-phenylethyl)acetamide
CID 18774902
N-(3-indol-1-ylpropyl)-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 55378394
N-(2-amino-2-phenylethyl)-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide;hydrochloride
CID 119527688
(5R)-5-methyl-5-(4-methylphenyl)-3-phenacylimidazolidine-2,4-dione
CID 2711028

Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide?
The IUPAC name of 2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide (CID 134000848) is 2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide.
What is the SMILES notation for 2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide?
The canonical SMILES for 2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide is Cc1ccc(C2(C)NC(=O)N(CC(=O)NCCc3cnn(-c4ccccc4)c3)C2=O)cc1.
What is the InChIKey of 2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide?
The InChIKey is FFBRWIBJFYEEML-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O3/c1-17-8-10-19(11-9-17)24(2)22(31)28(23(32)27-24)16-21(30)25-13-12-18-14-26-29(15-18)20-6-4-3-5-7-20/h3-11,14-15H,12-13,16H2,1-2H3,(H,25,30)(H,27,32).
What are the key properties of 2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide?
2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide has a molecular weight of 431.50 g/mol, XLogP of 2.31, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide is sourced from PubChem (CID 134000848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).