2-(4-benzyl-2,5-dioxoimidazolidin-1-yl)-N-[(4-bromophenyl)methyl]-N-methylacetamide

C20H20BrN3O3 — CID 42988064

IUPAC2-(4-benzyl-2,5-dioxoimidazolidin-1-yl)-N-[(4-bromophenyl)methyl]-N-methylacetamide
SMILESCN(Cc1ccc(Br)cc1)C(=O)CN1C(=O)NC(Cc2ccccc2)C1=O
InChIInChI=1S/C20H20BrN3O3/c1-23(12-15-7-9-16(21)10-8-15)18(25)13-24-19(26)17(22-20(24)27)11-14-5-3-2-4-6-14/h2-10,17H,11-13H2,1H3,(H,22,27)
InChIKeyARRWPIYHDUVFNB-UHFFFAOYSA-N
MW430.30 g/mol
LogP2.57
Rot. Bonds6

About 2-(4-benzyl-2,5-dioxoimidazolidin-1-yl)-N-[(4-bromophenyl)methyl]-N-methylacetamide

2-(4-benzyl-2,5-dioxoimidazolidin-1-yl)-N-[(4-bromophenyl)methyl]-N-methylacetamide (PubChem CID 42988064) has the molecular formula C20H20BrN3O3 and a molecular weight of 430.30 g/mol. Its IUPAC name is 2-(4-benzyl-2,5-dioxoimidazolidin-1-yl)-N-[(4-bromophenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(4-benzyl-2,5-dioxoimidazolidin-1-yl)-N-[(4-bromophenyl)methyl]-N-methylacetamide
PubChem CID42988064
Molecular FormulaC20H20BrN3O3
Molecular Weight430.30 g/mol
Exact Mass429.07
IUPAC Name2-(4-benzyl-2,5-dioxoimidazolidin-1-yl)-N-[(4-bromophenyl)methyl]-N-methylacetamide
SMILESCN(Cc1ccc(Br)cc1)C(=O)CN1C(=O)NC(Cc2ccccc2)C1=O
InChIInChI=1S/C20H20BrN3O3/c1-23(12-15-7-9-16(21)10-8-15)18(25)13-24-19(26)17(22-20(24)27)11-14-5-3-2-4-6-14/h2-10,17H,11-13H2,1H3,(H,22,27)
InChIKeyARRWPIYHDUVFNB-UHFFFAOYSA-N
XLogP2.57
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.30
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(4-benzyl-2,5-dioxoimidazolidin-1-yl)-N-[(4-bromophenyl)methyl]-N-methylacetamide 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

2-[(4S)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-[(3-fluorophenyl)methyl]-N-methylacetamide
CID 51867023
2-(4-benzyl-2,5-dioxoimidazolidin-1-yl)-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 24658769
N-benzyl-N-methyl-2-[(4S)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2704236
N-benzyl-2-(4-benzyl-2,5-dioxoimidazolidin-1-yl)-N-propan-2-ylacetamide
CID 3549175
2-[(4R)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N,N-bis(2-methylpropyl)acetamide
CID 29170373
2-[(4R)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N,N-dicyclohexylacetamide
CID 51565159
N-[(4-bromophenyl)methyl]-2-(1,4-dioxo-3H-phthalazin-2-yl)-N-methylacetamide
CID 9416461
2-[(4S)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 97061444
N-[(4-bromophenyl)methyl]-N-methyl-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 9159247
(5S)-5-benzyl-3-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]imidazolidine-2,4-dione
CID 2102714
N-benzyl-4-bromo-N-methylbenzamide
CID 751372
N-benzyl-2-[(4S)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-methylacetamide
CID 91636561

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzyl-2,5-dioxoimidazolidin-1-yl)-N-[(4-bromophenyl)methyl]-N-methylacetamide?
The IUPAC name of 2-(4-benzyl-2,5-dioxoimidazolidin-1-yl)-N-[(4-bromophenyl)methyl]-N-methylacetamide (CID 42988064) is 2-(4-benzyl-2,5-dioxoimidazolidin-1-yl)-N-[(4-bromophenyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-(4-benzyl-2,5-dioxoimidazolidin-1-yl)-N-[(4-bromophenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-(4-benzyl-2,5-dioxoimidazolidin-1-yl)-N-[(4-bromophenyl)methyl]-N-methylacetamide is CN(Cc1ccc(Br)cc1)C(=O)CN1C(=O)NC(Cc2ccccc2)C1=O.
What is the InChIKey of 2-(4-benzyl-2,5-dioxoimidazolidin-1-yl)-N-[(4-bromophenyl)methyl]-N-methylacetamide?
The InChIKey is ARRWPIYHDUVFNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20BrN3O3/c1-23(12-15-7-9-16(21)10-8-15)18(25)13-24-19(26)17(22-20(24)27)11-14-5-3-2-4-6-14/h2-10,17H,11-13H2,1H3,(H,22,27).
What are the key properties of 2-(4-benzyl-2,5-dioxoimidazolidin-1-yl)-N-[(4-bromophenyl)methyl]-N-methylacetamide?
2-(4-benzyl-2,5-dioxoimidazolidin-1-yl)-N-[(4-bromophenyl)methyl]-N-methylacetamide has a molecular weight of 430.30 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzyl-2,5-dioxoimidazolidin-1-yl)-N-[(4-bromophenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 42988064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).