5-(4-tert-butylphenyl)-5-methyl-3-(2-pyridin-4-ylethyl)imidazolidine-2,4-dione

C21H25N3O2 — CID 75858248

IUPAC5-(4-tert-butylphenyl)-5-methyl-3-(2-pyridin-4-ylethyl)imidazolidine-2,4-dione
SMILESCC(C)(C)c1ccc(C2(C)NC(=O)N(CCc3ccncc3)C2=O)cc1
InChIInChI=1S/C21H25N3O2/c1-20(2,3)16-5-7-17(8-6-16)21(4)18(25)24(19(26)23-21)14-11-15-9-12-22-13-10-15/h5-10,12-13H,11,14H2,1-4H3,(H,23,26)
InChIKeySQIXRJKSSYOSRH-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.39
Rot. Bonds4

About 5-(4-tert-butylphenyl)-5-methyl-3-(2-pyridin-4-ylethyl)imidazolidine-2,4-dione

5-(4-tert-butylphenyl)-5-methyl-3-(2-pyridin-4-ylethyl)imidazolidine-2,4-dione (PubChem CID 75858248) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 5-(4-tert-butylphenyl)-5-methyl-3-(2-pyridin-4-ylethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(4-tert-butylphenyl)-5-methyl-3-(2-pyridin-4-ylethyl)imidazolidine-2,4-dione
PubChem CID75858248
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name5-(4-tert-butylphenyl)-5-methyl-3-(2-pyridin-4-ylethyl)imidazolidine-2,4-dione
SMILESCC(C)(C)c1ccc(C2(C)NC(=O)N(CCc3ccncc3)C2=O)cc1
InChIInChI=1S/C21H25N3O2/c1-20(2,3)16-5-7-17(8-6-16)21(4)18(25)24(19(26)23-21)14-11-15-9-12-22-13-10-15/h5-10,12-13H,11,14H2,1-4H3,(H,23,26)
InChIKeySQIXRJKSSYOSRH-UHFFFAOYSA-N
XLogP3.39
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.39
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

5-methyl-3-(2-phenylethyl)-5-pyridin-4-ylimidazolidine-2,4-dione
CID 110226505
3-[(4-tert-butylphenyl)methyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 4084225
3-[2-(4-tert-butylphenyl)-2-oxoethyl]-5-methyl-5-(4-propylphenyl)imidazolidine-2,4-dione
CID 43029188
(5R)-5-methyl-5-(2-methylpropyl)-3-(2-pyridin-4-ylethyl)imidazolidine-2,4-dione
CID 95597576
(5R)-3-[(4-tert-butylphenyl)methyl]-5-methyl-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione
CID 7595987
(5R)-5-(4-tert-butylphenyl)-5-methyl-3-[(4-nitrophenyl)methyl]imidazolidine-2,4-dione
CID 7812605
2-[(4S)-4-(4-tert-butylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 2113805
5-(4-tert-butylphenyl)-5-methyl-3-[2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)ethyl]imidazolidine-2,4-dione
CID 42982883
5-methyl-3-[2-(4-nitrophenyl)ethyl]-5-phenylimidazolidine-2,4-dione
CID 10664801
3-(3-hydroxy-3-methylbutyl)-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 111825021
5-(4-tert-butylphenyl)-5-methyl-3-[3-(3-methylphenoxy)propyl]imidazolidine-2,4-dione
CID 18267863
(5S)-3-[2-(4-tert-butylphenyl)-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 7178166

Frequently Asked Questions

What is the IUPAC name of 5-(4-tert-butylphenyl)-5-methyl-3-(2-pyridin-4-ylethyl)imidazolidine-2,4-dione?
The IUPAC name of 5-(4-tert-butylphenyl)-5-methyl-3-(2-pyridin-4-ylethyl)imidazolidine-2,4-dione (CID 75858248) is 5-(4-tert-butylphenyl)-5-methyl-3-(2-pyridin-4-ylethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-(4-tert-butylphenyl)-5-methyl-3-(2-pyridin-4-ylethyl)imidazolidine-2,4-dione?
The canonical SMILES for 5-(4-tert-butylphenyl)-5-methyl-3-(2-pyridin-4-ylethyl)imidazolidine-2,4-dione is CC(C)(C)c1ccc(C2(C)NC(=O)N(CCc3ccncc3)C2=O)cc1.
What is the InChIKey of 5-(4-tert-butylphenyl)-5-methyl-3-(2-pyridin-4-ylethyl)imidazolidine-2,4-dione?
The InChIKey is SQIXRJKSSYOSRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-20(2,3)16-5-7-17(8-6-16)21(4)18(25)24(19(26)23-21)14-11-15-9-12-22-13-10-15/h5-10,12-13H,11,14H2,1-4H3,(H,23,26).
What are the key properties of 5-(4-tert-butylphenyl)-5-methyl-3-(2-pyridin-4-ylethyl)imidazolidine-2,4-dione?
5-(4-tert-butylphenyl)-5-methyl-3-(2-pyridin-4-ylethyl)imidazolidine-2,4-dione has a molecular weight of 351.45 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-tert-butylphenyl)-5-methyl-3-(2-pyridin-4-ylethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 75858248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).