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

C25H23N3O3 — CID 4877614

IUPAC4-[[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]methyl]-N-phenylbenzamide
SMILESCc1ccc(C2(C)NC(=O)N(Cc3ccc(C(=O)Nc4ccccc4)cc3)C2=O)cc1
InChIInChI=1S/C25H23N3O3/c1-17-8-14-20(15-9-17)25(2)23(30)28(24(31)27-25)16-18-10-12-19(13-11-18)22(29)26-21-6-4-3-5-7-21/h3-15H,16H2,1-2H3,(H,26,29)(H,27,31)
InChIKeyGYLINNJWVYEMML-UHFFFAOYSA-N
MW413.48 g/mol
LogP4.21
Rot. Bonds5

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

4-[[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]methyl]-N-phenylbenzamide (PubChem CID 4877614) has the molecular formula C25H23N3O3 and a molecular weight of 413.48 g/mol. Its IUPAC name is 4-[[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]methyl]-N-phenylbenzamide.

Molecular Properties

Compound Name4-[[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]methyl]-N-phenylbenzamide
PubChem CID4877614
Molecular FormulaC25H23N3O3
Molecular Weight413.48 g/mol
Exact Mass413.17
IUPAC Name4-[[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]methyl]-N-phenylbenzamide
SMILESCc1ccc(C2(C)NC(=O)N(Cc3ccc(C(=O)Nc4ccccc4)cc3)C2=O)cc1
InChIInChI=1S/C25H23N3O3/c1-17-8-14-20(15-9-17)25(2)23(30)28(24(31)27-25)16-18-10-12-19(13-11-18)22(29)26-21-6-4-3-5-7-21/h3-15H,16H2,1-2H3,(H,26,29)(H,27,31)
InChIKeyGYLINNJWVYEMML-UHFFFAOYSA-N
XLogP4.21
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5S)-3-benzyl-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 51463779
4-[[(4R)-4-methyl-2,5-dioxo-4-pyridin-2-ylimidazolidin-1-yl]methyl]-N-phenylbenzamide
CID 97021801
4-[(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)methyl]benzamide
CID 17410105
N,N-dimethyl-4-[[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]methyl]benzamide
CID 84601218
3-[(4-tert-butylphenyl)methyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 4084225
methyl 4-[[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]benzoate
CID 7242335
5-methyl-3-[[4-(4-methylphenyl)sulfonylphenyl]methyl]-5-phenylimidazolidine-2,4-dione
CID 46435513
(2-anilino-2-oxoethyl) 2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate
CID 7711003
(5R)-5-methyl-5-(4-methylphenyl)-3-phenacylimidazolidine-2,4-dione
CID 2711028
N-(2-methoxyphenyl)-4-[[2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzamide
CID 51437759
4-[(1,3-dioxoisoindol-2-yl)methyl]-N-phenylbenzamide
CID 2995396
4-[[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]methyl]benzonitrile
CID 5010389

Frequently Asked Questions

What is the IUPAC name of 4-[[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]methyl]-N-phenylbenzamide?
The IUPAC name of 4-[[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]methyl]-N-phenylbenzamide (CID 4877614) is 4-[[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]methyl]-N-phenylbenzamide.
What is the SMILES notation for 4-[[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]methyl]-N-phenylbenzamide?
The canonical SMILES for 4-[[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]methyl]-N-phenylbenzamide is Cc1ccc(C2(C)NC(=O)N(Cc3ccc(C(=O)Nc4ccccc4)cc3)C2=O)cc1.
What is the InChIKey of 4-[[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]methyl]-N-phenylbenzamide?
The InChIKey is GYLINNJWVYEMML-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O3/c1-17-8-14-20(15-9-17)25(2)23(30)28(24(31)27-25)16-18-10-12-19(13-11-18)22(29)26-21-6-4-3-5-7-21/h3-15H,16H2,1-2H3,(H,26,29)(H,27,31).
What are the key properties of 4-[[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]methyl]-N-phenylbenzamide?
4-[[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]methyl]-N-phenylbenzamide has a molecular weight of 413.48 g/mol, XLogP of 4.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]methyl]-N-phenylbenzamide is sourced from PubChem (CID 4877614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).