N,N-dimethyl-4-[[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]methyl]benzamide

C21H23N3O3 — CID 84601218

IUPACN,N-dimethyl-4-[[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]methyl]benzamide
SMILESCc1ccc(C2(C)NC(=O)N(Cc3ccc(C(=O)N(C)C)cc3)C2=O)cc1
InChIInChI=1S/C21H23N3O3/c1-14-5-11-17(12-6-14)21(2)19(26)24(20(27)22-21)13-15-7-9-16(10-8-15)18(25)23(3)4/h5-12H,13H2,1-4H3,(H,22,27)
InChIKeyBLSPCENUNRXPKK-UHFFFAOYSA-N
MW365.43 g/mol
LogP2.66
Rot. Bonds4

About N,N-dimethyl-4-[[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]methyl]benzamide

N,N-dimethyl-4-[[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]methyl]benzamide (PubChem CID 84601218) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is N,N-dimethyl-4-[[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]methyl]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]methyl]benzamide
PubChem CID84601218
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC NameN,N-dimethyl-4-[[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]methyl]benzamide
SMILESCc1ccc(C2(C)NC(=O)N(Cc3ccc(C(=O)N(C)C)cc3)C2=O)cc1
InChIInChI=1S/C21H23N3O3/c1-14-5-11-17(12-6-14)21(2)19(26)24(20(27)22-21)13-15-7-9-16(10-8-15)18(25)23(3)4/h5-12H,13H2,1-4H3,(H,22,27)
InChIKeyBLSPCENUNRXPKK-UHFFFAOYSA-N
XLogP2.66
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 52.66
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

4-[[4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-N,N-dimethylbenzamide
CID 78764207
(5R)-3-[(4-chlorophenyl)methyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 2092267
4-[[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]methyl]-N-phenylbenzamide
CID 4877614
(5S)-3-benzyl-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 51463779
3-[(4-tert-butylphenyl)methyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 4084225
3-[(4-methoxyphenyl)methyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 16577297
4-[[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]methyl]benzonitrile
CID 5010389
N,N-dimethyl-4-[[4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]methyl]benzamide
CID 84601226
4-[(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)methyl]benzamide
CID 17410105
N-[[4-(dimethylamino)phenyl]methyl]-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 51207809
methyl 4-[[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]benzoate
CID 7242335
3-[[4-(difluoromethylsulfonyl)phenyl]methyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 78827274

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]methyl]benzamide?
The IUPAC name of N,N-dimethyl-4-[[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]methyl]benzamide (CID 84601218) is N,N-dimethyl-4-[[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]methyl]benzamide.
What is the SMILES notation for N,N-dimethyl-4-[[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]methyl]benzamide?
The canonical SMILES for N,N-dimethyl-4-[[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]methyl]benzamide is Cc1ccc(C2(C)NC(=O)N(Cc3ccc(C(=O)N(C)C)cc3)C2=O)cc1.
What is the InChIKey of N,N-dimethyl-4-[[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]methyl]benzamide?
The InChIKey is BLSPCENUNRXPKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-14-5-11-17(12-6-14)21(2)19(26)24(20(27)22-21)13-15-7-9-16(10-8-15)18(25)23(3)4/h5-12H,13H2,1-4H3,(H,22,27).
What are the key properties of N,N-dimethyl-4-[[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]methyl]benzamide?
N,N-dimethyl-4-[[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]methyl]benzamide has a molecular weight of 365.43 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]methyl]benzamide is sourced from PubChem (CID 84601218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).