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

C22H20BrN3O4 — CID 55445044

IUPAC2-[4-(1-benzofuran-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(2-bromophenyl)methyl]-N-methylacetamide
SMILESCN(Cc1ccccc1Br)C(=O)CN1C(=O)NC(C)(c2cc3ccccc3o2)C1=O
InChIInChI=1S/C22H20BrN3O4/c1-22(18-11-14-7-4-6-10-17(14)30-18)20(28)26(21(29)24-22)13-19(27)25(2)12-15-8-3-5-9-16(15)23/h3-11H,12-13H2,1-2H3,(H,24,29)
InChIKeyJKCICYAOIGSVCT-UHFFFAOYSA-N
MW470.32 g/mol
LogP3.62
Rot. Bonds5

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

2-[4-(1-benzofuran-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(2-bromophenyl)methyl]-N-methylacetamide (PubChem CID 55445044) has the molecular formula C22H20BrN3O4 and a molecular weight of 470.32 g/mol. Its IUPAC name is 2-[4-(1-benzofuran-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(2-bromophenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-(1-benzofuran-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(2-bromophenyl)methyl]-N-methylacetamide
PubChem CID55445044
Molecular FormulaC22H20BrN3O4
Molecular Weight470.32 g/mol
Exact Mass469.06
IUPAC Name2-[4-(1-benzofuran-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(2-bromophenyl)methyl]-N-methylacetamide
SMILESCN(Cc1ccccc1Br)C(=O)CN1C(=O)NC(C)(c2cc3ccccc3o2)C1=O
InChIInChI=1S/C22H20BrN3O4/c1-22(18-11-14-7-4-6-10-17(14)30-18)20(28)26(21(29)24-22)13-19(27)25(2)12-15-8-3-5-9-16(15)23/h3-11H,12-13H2,1-2H3,(H,24,29)
InChIKeyJKCICYAOIGSVCT-UHFFFAOYSA-N
XLogP3.62
TPSA82.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.32
LogP ≤ 53.62
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

2-[4-(1-benzofuran-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(1,3-benzothiazol-2-ylmethyl)-N-methylacetamide
CID 17434813
N-[(2-bromophenyl)methyl]-2-[4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide
CID 46815577
(5S)-5-(1-benzofuran-2-yl)-3-(3,3-dimethyl-2-oxobutyl)-5-methylimidazolidine-2,4-dione
CID 40854425
2-[4-(1-benzofuran-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(4-methylphenyl)methyl]-N-propylacetamide
CID 55442216
N-[(2-bromophenyl)methyl]-N-methyl-2-[4-methyl-4-(3-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 56684725
2-[4-(1-benzofuran-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(cyanomethyl)-N-phenylacetamide
CID 56521720
(5S)-5-(1-benzofuran-2-yl)-5-methyl-3-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]imidazolidine-2,4-dione
CID 9292738
2-[4-(1-benzofuran-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-butylacetamide
CID 17397156
(5R)-5-(1-benzofuran-2-yl)-3-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 51684131
2-[(4S)-4-(2-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 27943560
2-[(4R)-4-(1-benzofuran-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-cyclopropyl-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 41119119
2-[(4S)-4-(1-benzofuran-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-cyclopropyl-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 41119118

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-benzofuran-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(2-bromophenyl)methyl]-N-methylacetamide?
The IUPAC name of 2-[4-(1-benzofuran-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(2-bromophenyl)methyl]-N-methylacetamide (CID 55445044) is 2-[4-(1-benzofuran-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(2-bromophenyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-[4-(1-benzofuran-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(2-bromophenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-[4-(1-benzofuran-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(2-bromophenyl)methyl]-N-methylacetamide is CN(Cc1ccccc1Br)C(=O)CN1C(=O)NC(C)(c2cc3ccccc3o2)C1=O.
What is the InChIKey of 2-[4-(1-benzofuran-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(2-bromophenyl)methyl]-N-methylacetamide?
The InChIKey is JKCICYAOIGSVCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20BrN3O4/c1-22(18-11-14-7-4-6-10-17(14)30-18)20(28)26(21(29)24-22)13-19(27)25(2)12-15-8-3-5-9-16(15)23/h3-11H,12-13H2,1-2H3,(H,24,29).
What are the key properties of 2-[4-(1-benzofuran-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(2-bromophenyl)methyl]-N-methylacetamide?
2-[4-(1-benzofuran-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(2-bromophenyl)methyl]-N-methylacetamide has a molecular weight of 470.32 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-benzofuran-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(2-bromophenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 55445044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).