2-[4-(2-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide

C23H24BrN3O4 — CID 47094416

IUPAC2-[4-(2-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CN(C(=O)CN2C(=O)NC(C)(c3ccccc3Br)C2=O)C2CC2)cc1
InChIInChI=1S/C23H24BrN3O4/c1-23(18-5-3-4-6-19(18)24)21(29)27(22(30)25-23)14-20(28)26(16-9-10-16)13-15-7-11-17(31-2)12-8-15/h3-8,11-12,16H,9-10,13-14H2,1-2H3,(H,25,30)
InChIKeyGEZABJXRFIOXAG-UHFFFAOYSA-N
MW486.37 g/mol
LogP3.42
Rot. Bonds7

About 2-[4-(2-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide

2-[4-(2-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide (PubChem CID 47094416) has the molecular formula C23H24BrN3O4 and a molecular weight of 486.37 g/mol. Its IUPAC name is 2-[4-(2-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[4-(2-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide
PubChem CID47094416
Molecular FormulaC23H24BrN3O4
Molecular Weight486.37 g/mol
Exact Mass485.10
IUPAC Name2-[4-(2-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CN(C(=O)CN2C(=O)NC(C)(c3ccccc3Br)C2=O)C2CC2)cc1
InChIInChI=1S/C23H24BrN3O4/c1-23(18-5-3-4-6-19(18)24)21(29)27(22(30)25-23)14-20(28)26(16-9-10-16)13-15-7-11-17(31-2)12-8-15/h3-8,11-12,16H,9-10,13-14H2,1-2H3,(H,25,30)
InChIKeyGEZABJXRFIOXAG-UHFFFAOYSA-N
XLogP3.42
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.37
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-2-[(4R)-4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 41197779
N-cyclopropyl-2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 55398366
N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-[(4R)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 41312570
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 18201440
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-(2-oxo-1-pyridinyl)acetamide
CID 51206707
2-[(4S)-4-(2-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 40974361
2-[(4R)-4-(2-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3,5-dimethoxyphenyl)acetamide
CID 2702725
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 18198390
2-[(4S)-4-(2-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 27943560
N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 24520357
(5S)-5-(2-bromophenyl)-3-[(3-methoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 40794994
N-cyclopropyl-2-[4-(2-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide
CID 47082477

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[4-(2-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide (CID 47094416) is 2-[4-(2-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[4-(2-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[4-(2-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide is COc1ccc(CN(C(=O)CN2C(=O)NC(C)(c3ccccc3Br)C2=O)C2CC2)cc1.
What is the InChIKey of 2-[4-(2-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide?
The InChIKey is GEZABJXRFIOXAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24BrN3O4/c1-23(18-5-3-4-6-19(18)24)21(29)27(22(30)25-23)14-20(28)26(16-9-10-16)13-15-7-11-17(31-2)12-8-15/h3-8,11-12,16H,9-10,13-14H2,1-2H3,(H,25,30).
What are the key properties of 2-[4-(2-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide?
2-[4-(2-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide has a molecular weight of 486.37 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 47094416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).