N-(4-bromo-2-methylphenyl)-2-[4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide

C22H24BrN3O3 — CID 46816450

IUPACN-(4-bromo-2-methylphenyl)-2-[4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide
SMILESCc1cc(Br)ccc1NC(=O)CN1C(=O)NC(C)(c2ccc(C(C)C)cc2)C1=O
InChIInChI=1S/C22H24BrN3O3/c1-13(2)15-5-7-16(8-6-15)22(4)20(28)26(21(29)25-22)12-19(27)24-18-10-9-17(23)11-14(18)3/h5-11,13H,12H2,1-4H3,(H,24,27)(H,25,29)
InChIKeyZJTVBNAVGAUPGO-UHFFFAOYSA-N
MW458.36 g/mol
LogP4.29
Rot. Bonds5

About N-(4-bromo-2-methylphenyl)-2-[4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide

N-(4-bromo-2-methylphenyl)-2-[4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide (PubChem CID 46816450) has the molecular formula C22H24BrN3O3 and a molecular weight of 458.36 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-2-[4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-2-[4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide
PubChem CID46816450
Molecular FormulaC22H24BrN3O3
Molecular Weight458.36 g/mol
Exact Mass457.10
IUPAC NameN-(4-bromo-2-methylphenyl)-2-[4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide
SMILESCc1cc(Br)ccc1NC(=O)CN1C(=O)NC(C)(c2ccc(C(C)C)cc2)C1=O
InChIInChI=1S/C22H24BrN3O3/c1-13(2)15-5-7-16(8-6-15)22(4)20(28)26(21(29)25-22)12-19(27)24-18-10-9-17(23)11-14(18)3/h5-11,13H,12H2,1-4H3,(H,24,27)(H,25,29)
InChIKeyZJTVBNAVGAUPGO-UHFFFAOYSA-N
XLogP4.29
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.36
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]-N-(2-methylphenyl)acetamide
CID 78509718
N-(4-bromo-3-methylphenyl)-2-[4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide
CID 46816684
N-(2,6-dimethylphenyl)-2-[(4R)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide
CID 7595756
2-[(4R)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]-N-(3-methylphenyl)acetamide
CID 7595754
N-(4-bromo-2-methylphenyl)-2-[4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 4804609
2-[4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 4804430
N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-[(4S)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide
CID 7596132
N-(2,4-dimethylphenyl)-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 2429663
2-[(4S)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetic acid
CID 30054775
2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-iodo-2-methylphenyl)acetamide
CID 46512801
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
N-[(2S)-3-methylbutan-2-yl]-2-[(4S)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide
CID 7802579

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-2-[4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)-2-[4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide (CID 46816450) is N-(4-bromo-2-methylphenyl)-2-[4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-2-[4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-2-[4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide is Cc1cc(Br)ccc1NC(=O)CN1C(=O)NC(C)(c2ccc(C(C)C)cc2)C1=O.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-2-[4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide?
The InChIKey is ZJTVBNAVGAUPGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24BrN3O3/c1-13(2)15-5-7-16(8-6-15)22(4)20(28)26(21(29)25-22)12-19(27)24-18-10-9-17(23)11-14(18)3/h5-11,13H,12H2,1-4H3,(H,24,27)(H,25,29).
What are the key properties of N-(4-bromo-2-methylphenyl)-2-[4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide?
N-(4-bromo-2-methylphenyl)-2-[4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide has a molecular weight of 458.36 g/mol, XLogP of 4.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylphenyl)-2-[4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide is sourced from PubChem (CID 46816450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).