3-[2-(4-tert-butylphenyl)-2-oxoethyl]-5-methyl-5-(4-propylphenyl)imidazolidine-2,4-dione

C25H30N2O3 — CID 43029188

IUPAC3-[2-(4-tert-butylphenyl)-2-oxoethyl]-5-methyl-5-(4-propylphenyl)imidazolidine-2,4-dione
SMILESCCCc1ccc(C2(C)NC(=O)N(CC(=O)c3ccc(C(C)(C)C)cc3)C2=O)cc1
InChIInChI=1S/C25H30N2O3/c1-6-7-17-8-12-20(13-9-17)25(5)22(29)27(23(30)26-25)16-21(28)18-10-14-19(15-11-18)24(2,3)4/h8-15H,6-7,16H2,1-5H3,(H,26,30)
InChIKeyBZWWJBVEFFTLQA-UHFFFAOYSA-N
MW406.53 g/mol
LogP4.59
Rot. Bonds6

About 3-[2-(4-tert-butylphenyl)-2-oxoethyl]-5-methyl-5-(4-propylphenyl)imidazolidine-2,4-dione

3-[2-(4-tert-butylphenyl)-2-oxoethyl]-5-methyl-5-(4-propylphenyl)imidazolidine-2,4-dione (PubChem CID 43029188) has the molecular formula C25H30N2O3 and a molecular weight of 406.53 g/mol. Its IUPAC name is 3-[2-(4-tert-butylphenyl)-2-oxoethyl]-5-methyl-5-(4-propylphenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-(4-tert-butylphenyl)-2-oxoethyl]-5-methyl-5-(4-propylphenyl)imidazolidine-2,4-dione
PubChem CID43029188
Molecular FormulaC25H30N2O3
Molecular Weight406.53 g/mol
Exact Mass406.23
IUPAC Name3-[2-(4-tert-butylphenyl)-2-oxoethyl]-5-methyl-5-(4-propylphenyl)imidazolidine-2,4-dione
SMILESCCCc1ccc(C2(C)NC(=O)N(CC(=O)c3ccc(C(C)(C)C)cc3)C2=O)cc1
InChIInChI=1S/C25H30N2O3/c1-6-7-17-8-12-20(13-9-17)25(5)22(29)27(23(30)26-25)16-21(28)18-10-14-19(15-11-18)24(2,3)4/h8-15H,6-7,16H2,1-5H3,(H,26,30)
InChIKeyBZWWJBVEFFTLQA-UHFFFAOYSA-N
XLogP4.59
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 54.59
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

3-[2-(4-ethylphenyl)-2-oxoethyl]-5-methyl-5-(4-propylphenyl)imidazolidine-2,4-dione
CID 46815454
(5S)-3-[2-(4-tert-butylphenyl)-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 7178166
(5R)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-3-[2-oxo-2-(4-propylphenyl)ethyl]imidazolidine-2,4-dione
CID 7483818
3-[2-(4-tert-butylphenyl)-2-oxoethyl]-5-(3-chlorophenyl)-5-methylimidazolidine-2,4-dione
CID 55752375
2-[(4S)-4-(4-tert-butylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 2113805
(5S)-5-methyl-5-naphthalen-1-yl-3-[2-oxo-2-(4-propylphenyl)ethyl]imidazolidine-2,4-dione
CID 7179916
3-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-5-methyl-5-(4-propylphenyl)imidazolidine-2,4-dione
CID 46815456
2-[4-methyl-2,5-dioxo-4-(4-propylphenyl)imidazolidin-1-yl]-N-phenylacetamide
CID 17467243
N-(4-acetamidophenyl)-2-[4-methyl-2,5-dioxo-4-(4-propylphenyl)imidazolidin-1-yl]acetamide
CID 45356013
3-[2-(4-tert-butylphenyl)-2-oxoethyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione
CID 42971848
5-(4-tert-butylphenyl)-3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 3998929
N-[[4-[2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetyl]phenyl]methyl]acetamide
CID 40764733

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-tert-butylphenyl)-2-oxoethyl]-5-methyl-5-(4-propylphenyl)imidazolidine-2,4-dione?
The IUPAC name of 3-[2-(4-tert-butylphenyl)-2-oxoethyl]-5-methyl-5-(4-propylphenyl)imidazolidine-2,4-dione (CID 43029188) is 3-[2-(4-tert-butylphenyl)-2-oxoethyl]-5-methyl-5-(4-propylphenyl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-(4-tert-butylphenyl)-2-oxoethyl]-5-methyl-5-(4-propylphenyl)imidazolidine-2,4-dione?
The canonical SMILES for 3-[2-(4-tert-butylphenyl)-2-oxoethyl]-5-methyl-5-(4-propylphenyl)imidazolidine-2,4-dione is CCCc1ccc(C2(C)NC(=O)N(CC(=O)c3ccc(C(C)(C)C)cc3)C2=O)cc1.
What is the InChIKey of 3-[2-(4-tert-butylphenyl)-2-oxoethyl]-5-methyl-5-(4-propylphenyl)imidazolidine-2,4-dione?
The InChIKey is BZWWJBVEFFTLQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O3/c1-6-7-17-8-12-20(13-9-17)25(5)22(29)27(23(30)26-25)16-21(28)18-10-14-19(15-11-18)24(2,3)4/h8-15H,6-7,16H2,1-5H3,(H,26,30).
What are the key properties of 3-[2-(4-tert-butylphenyl)-2-oxoethyl]-5-methyl-5-(4-propylphenyl)imidazolidine-2,4-dione?
3-[2-(4-tert-butylphenyl)-2-oxoethyl]-5-methyl-5-(4-propylphenyl)imidazolidine-2,4-dione has a molecular weight of 406.53 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-tert-butylphenyl)-2-oxoethyl]-5-methyl-5-(4-propylphenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 43029188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).