N-benzyl-2-[4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide

C23H25N3O3 — CID 18085542

IUPACN-benzyl-2-[4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide
SMILESCN(Cc1ccccc1)C(=O)CN1C(=O)NC(C)(c2ccc3c(c2)CCC3)C1=O
InChIInChI=1S/C23H25N3O3/c1-23(19-12-11-17-9-6-10-18(17)13-19)21(28)26(22(29)24-23)15-20(27)25(2)14-16-7-4-3-5-8-16/h3-5,7-8,11-13H,6,9-10,14-15H2,1-2H3,(H,24,29)
InChIKeyBKMDMWHELKUHAT-UHFFFAOYSA-N
MW391.47 g/mol
LogP2.60
Rot. Bonds5

About N-benzyl-2-[4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide

N-benzyl-2-[4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide (PubChem CID 18085542) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is N-benzyl-2-[4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-benzyl-2-[4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide
PubChem CID18085542
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC NameN-benzyl-2-[4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide
SMILESCN(Cc1ccccc1)C(=O)CN1C(=O)NC(C)(c2ccc3c(c2)CCC3)C1=O
InChIInChI=1S/C23H25N3O3/c1-23(19-12-11-17-9-6-10-18(17)13-19)21(28)26(22(29)24-23)15-20(27)25(2)14-16-7-4-3-5-8-16/h3-5,7-8,11-13H,6,9-10,14-15H2,1-2H3,(H,24,29)
InChIKeyBKMDMWHELKUHAT-UHFFFAOYSA-N
XLogP2.60
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(4S)-4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methyl-N-[(5-phenylfuran-2-yl)methyl]acetamide
CID 51653437
2-[4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 78815107
2-[(4R)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-benzyl-N-methylacetamide
CID 7692043
N-[2-(cyclopropylamino)-2-oxoethyl]-2-[(4R)-4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide
CID 8602029
N-benzyl-N-methyl-2-[(4R)-4-methyl-2,5-dioxo-4-thiophen-3-ylimidazolidin-1-yl]acetamide
CID 52509192
N-benzyl-2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-methylacetamide
CID 2705995
(5S)-5-(2,3-dihydro-1H-inden-5-yl)-5-methyl-3-(2-naphthalen-1-yl-2-oxoethyl)imidazolidine-2,4-dione
CID 40820459
N-benzyl-2-[(4R)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide
CID 2703019
(5S)-5-(2,3-dihydro-1H-inden-5-yl)-5-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione
CID 8011147
4-[[4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-N,N-dimethylbenzamide
CID 78764207
2-[4-(3,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(3-fluorophenyl)methyl]-N-methylacetamide
CID 55443935
2-[(4S)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 7359335

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide?
The IUPAC name of N-benzyl-2-[4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide (CID 18085542) is N-benzyl-2-[4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide.
What is the SMILES notation for N-benzyl-2-[4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide?
The canonical SMILES for N-benzyl-2-[4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide is CN(Cc1ccccc1)C(=O)CN1C(=O)NC(C)(c2ccc3c(c2)CCC3)C1=O.
What is the InChIKey of N-benzyl-2-[4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide?
The InChIKey is BKMDMWHELKUHAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-23(19-12-11-17-9-6-10-18(17)13-19)21(28)26(22(29)24-23)15-20(27)25(2)14-16-7-4-3-5-8-16/h3-5,7-8,11-13H,6,9-10,14-15H2,1-2H3,(H,24,29).
What are the key properties of N-benzyl-2-[4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide?
N-benzyl-2-[4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide has a molecular weight of 391.47 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide is sourced from PubChem (CID 18085542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).