5-(4-tert-butylphenyl)-5-methyl-3-(oxolan-2-ylmethyl)imidazolidine-2,4-dione

C19H26N2O3 — CID 112774193

IUPAC5-(4-tert-butylphenyl)-5-methyl-3-(oxolan-2-ylmethyl)imidazolidine-2,4-dione
SMILESCC(C)(C)c1ccc(C2(C)NC(=O)N(CC3CCCO3)C2=O)cc1
InChIInChI=1S/C19H26N2O3/c1-18(2,3)13-7-9-14(10-8-13)19(4)16(22)21(17(23)20-19)12-15-6-5-11-24-15/h7-10,15H,5-6,11-12H2,1-4H3,(H,20,23)
InChIKeyCHUFSWYNRDILEC-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.93
Rot. Bonds3

About 5-(4-tert-butylphenyl)-5-methyl-3-(oxolan-2-ylmethyl)imidazolidine-2,4-dione

5-(4-tert-butylphenyl)-5-methyl-3-(oxolan-2-ylmethyl)imidazolidine-2,4-dione (PubChem CID 112774193) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is 5-(4-tert-butylphenyl)-5-methyl-3-(oxolan-2-ylmethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(4-tert-butylphenyl)-5-methyl-3-(oxolan-2-ylmethyl)imidazolidine-2,4-dione
PubChem CID112774193
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name5-(4-tert-butylphenyl)-5-methyl-3-(oxolan-2-ylmethyl)imidazolidine-2,4-dione
SMILESCC(C)(C)c1ccc(C2(C)NC(=O)N(CC3CCCO3)C2=O)cc1
InChIInChI=1S/C19H26N2O3/c1-18(2,3)13-7-9-14(10-8-13)19(4)16(22)21(17(23)20-19)12-15-6-5-11-24-15/h7-10,15H,5-6,11-12H2,1-4H3,(H,20,23)
InChIKeyCHUFSWYNRDILEC-UHFFFAOYSA-N
XLogP2.93
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.93
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

(5S)-5-methyl-3-[[(2R)-oxolan-2-yl]methyl]-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione
CID 8643587
(5S)-5-methyl-3-[[(2S)-oxolan-2-yl]methyl]-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione
CID 8643575
(5S)-5-(1,3-benzodioxol-5-yl)-5-methyl-3-[[(2R)-oxolan-2-yl]methyl]imidazolidine-2,4-dione
CID 8601366
5-(3-bromophenyl)-5-methyl-3-(oxan-2-ylmethyl)imidazolidine-2,4-dione
CID 43001037
2-[4-(4-tert-butylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-cycloheptylacetamide
CID 51139022
3-methyl-1-(oxolan-2-ylmethyl)-3-phenylpiperazine-2,5-dione
CID 64881514
2-[(4S)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 41249583
2-[(4R)-4-(4-tert-butylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N,N-dicyclohexylacetamide
CID 26716014
8-methyl-3-(oxolan-2-ylmethyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 4825972
(5S)-5-methyl-3-[[(2S)-oxolan-2-yl]methyl]-5-propan-2-ylimidazolidine-2,4-dione
CID 124881230
(5S)-5-(4-tert-butylphenyl)-3-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 31118115
3-[(4-tert-butylphenyl)methyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 4084225

Frequently Asked Questions

What is the IUPAC name of 5-(4-tert-butylphenyl)-5-methyl-3-(oxolan-2-ylmethyl)imidazolidine-2,4-dione?
The IUPAC name of 5-(4-tert-butylphenyl)-5-methyl-3-(oxolan-2-ylmethyl)imidazolidine-2,4-dione (CID 112774193) is 5-(4-tert-butylphenyl)-5-methyl-3-(oxolan-2-ylmethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-(4-tert-butylphenyl)-5-methyl-3-(oxolan-2-ylmethyl)imidazolidine-2,4-dione?
The canonical SMILES for 5-(4-tert-butylphenyl)-5-methyl-3-(oxolan-2-ylmethyl)imidazolidine-2,4-dione is CC(C)(C)c1ccc(C2(C)NC(=O)N(CC3CCCO3)C2=O)cc1.
What is the InChIKey of 5-(4-tert-butylphenyl)-5-methyl-3-(oxolan-2-ylmethyl)imidazolidine-2,4-dione?
The InChIKey is CHUFSWYNRDILEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-18(2,3)13-7-9-14(10-8-13)19(4)16(22)21(17(23)20-19)12-15-6-5-11-24-15/h7-10,15H,5-6,11-12H2,1-4H3,(H,20,23).
What are the key properties of 5-(4-tert-butylphenyl)-5-methyl-3-(oxolan-2-ylmethyl)imidazolidine-2,4-dione?
5-(4-tert-butylphenyl)-5-methyl-3-(oxolan-2-ylmethyl)imidazolidine-2,4-dione has a molecular weight of 330.43 g/mol, XLogP of 2.93, 3 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-(oxolan-2-ylmethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 112774193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).