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

C23H25N3O3 — CID 78764207

IUPAC4-[[4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(CN2C(=O)NC(C)(c3ccc4c(c3)CCC4)C2=O)cc1
InChIInChI=1S/C23H25N3O3/c1-23(19-12-11-16-5-4-6-18(16)13-19)21(28)26(22(29)24-23)14-15-7-9-17(10-8-15)20(27)25(2)3/h7-13H,4-6,14H2,1-3H3,(H,24,29)
InChIKeyPTQCBDCXGXGLQT-UHFFFAOYSA-N
MW391.47 g/mol
LogP2.84
Rot. Bonds4

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

4-[[4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-N,N-dimethylbenzamide (PubChem CID 78764207) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is 4-[[4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[[4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-N,N-dimethylbenzamide
PubChem CID78764207
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name4-[[4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(CN2C(=O)NC(C)(c3ccc4c(c3)CCC4)C2=O)cc1
InChIInChI=1S/C23H25N3O3/c1-23(19-12-11-16-5-4-6-18(16)13-19)21(28)26(22(29)24-23)14-15-7-9-17(10-8-15)20(27)25(2)3/h7-13H,4-6,14H2,1-3H3,(H,24,29)
InChIKeyPTQCBDCXGXGLQT-UHFFFAOYSA-N
XLogP2.84
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 52.84
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

N,N-dimethyl-4-[[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]methyl]benzamide
CID 84601218
(5S)-5-(2,3-dihydro-1H-inden-5-yl)-5-methyl-3-[(4-methylsulfanylphenyl)methyl]imidazolidine-2,4-dione
CID 7988392
3-[[2-[4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-N,N-dimethylbenzamide
CID 55524024
N-benzyl-2-[4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide
CID 18085542
(5S)-5-(2,3-dihydro-1H-inden-5-yl)-5-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione
CID 8011147
N-[[(4S)-4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-N-methylmethanesulfonamide
CID 97248650
(5R)-3-[(5-chlorothiadiazol-4-yl)methyl]-5-(2,3-dihydro-1H-inden-5-yl)-5-methylimidazolidine-2,4-dione
CID 9452500
5-(2,3-dihydro-1H-inden-5-yl)-5-methyl-3-[(1-phenylpyrazol-4-yl)methyl]imidazolidine-2,4-dione
CID 112808146
(5R)-5-(2,3-dihydro-1H-inden-5-yl)-3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 7883923
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
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
(5S)-5-methyl-5-(4-methylphenyl)-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]imidazolidine-2,4-dione
CID 7178281

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-N,N-dimethylbenzamide?
The IUPAC name of 4-[[4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-N,N-dimethylbenzamide (CID 78764207) is 4-[[4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[[4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[[4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(CN2C(=O)NC(C)(c3ccc4c(c3)CCC4)C2=O)cc1.
What is the InChIKey of 4-[[4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-N,N-dimethylbenzamide?
The InChIKey is PTQCBDCXGXGLQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-23(19-12-11-16-5-4-6-18(16)13-19)21(28)26(22(29)24-23)14-15-7-9-17(10-8-15)20(27)25(2)3/h7-13H,4-6,14H2,1-3H3,(H,24,29).
What are the key properties of 4-[[4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-N,N-dimethylbenzamide?
4-[[4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-N,N-dimethylbenzamide has a molecular weight of 391.47 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-N,N-dimethylbenzamide is sourced from PubChem (CID 78764207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).