5-(4-tert-butylphenyl)-3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione

C20H21ClN2O3S — CID 3998929

IUPAC5-(4-tert-butylphenyl)-3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
SMILESCC(C)(C)c1ccc(C2(C)NC(=O)N(CC(=O)c3ccc(Cl)s3)C2=O)cc1
InChIInChI=1S/C20H21ClN2O3S/c1-19(2,3)12-5-7-13(8-6-12)20(4)17(25)23(18(26)22-20)11-14(24)15-9-10-16(21)27-15/h5-10H,11H2,1-4H3,(H,22,26)
InChIKeyKOCZNGVPJXDQRF-UHFFFAOYSA-N
MW404.92 g/mol
LogP4.35
Rot. Bonds4

About 5-(4-tert-butylphenyl)-3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione

5-(4-tert-butylphenyl)-3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione (PubChem CID 3998929) has the molecular formula C20H21ClN2O3S and a molecular weight of 404.92 g/mol. Its IUPAC name is 5-(4-tert-butylphenyl)-3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(4-tert-butylphenyl)-3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
PubChem CID3998929
Molecular FormulaC20H21ClN2O3S
Molecular Weight404.92 g/mol
Exact Mass404.10
IUPAC Name5-(4-tert-butylphenyl)-3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
SMILESCC(C)(C)c1ccc(C2(C)NC(=O)N(CC(=O)c3ccc(Cl)s3)C2=O)cc1
InChIInChI=1S/C20H21ClN2O3S/c1-19(2,3)12-5-7-13(8-6-12)20(4)17(25)23(18(26)22-20)11-14(24)15-9-10-16(21)27-15/h5-10H,11H2,1-4H3,(H,22,26)
InChIKeyKOCZNGVPJXDQRF-UHFFFAOYSA-N
XLogP4.35
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.92
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5S)-3-[2-(4-tert-butylphenyl)-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 7178166
3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-5-ethyl-5-methylimidazolidine-2,4-dione
CID 60623088
(5R)-3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione
CID 2438011
3-[2-(4-tert-butylphenyl)-2-oxoethyl]-5-methyl-5-(4-propylphenyl)imidazolidine-2,4-dione
CID 43029188
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-(3,4-dichlorophenyl)acetamide
CID 2488720
3-[2-(5-bromothiophen-2-yl)-2-oxoethyl]-5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione
CID 18074722
3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2710885
6-amino-5-[2-[4-(4-tert-butylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]-1,3-dimethylpyrimidine-2,4-dione
CID 24584616
N-(4-tert-butylphenyl)-2-[(4R)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide
CID 7595762
2-[(4R)-4-(4-tert-butylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-methoxyethyl)acetamide
CID 40918408
2-[(4S)-4-(4-tert-butylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 2113805

Frequently Asked Questions

What is the IUPAC name of 5-(4-tert-butylphenyl)-3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of 5-(4-tert-butylphenyl)-3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione (CID 3998929) is 5-(4-tert-butylphenyl)-3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 5-(4-tert-butylphenyl)-3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 5-(4-tert-butylphenyl)-3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione is CC(C)(C)c1ccc(C2(C)NC(=O)N(CC(=O)c3ccc(Cl)s3)C2=O)cc1.
What is the InChIKey of 5-(4-tert-butylphenyl)-3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is KOCZNGVPJXDQRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O3S/c1-19(2,3)12-5-7-13(8-6-12)20(4)17(25)23(18(26)22-20)11-14(24)15-9-10-16(21)27-15/h5-10H,11H2,1-4H3,(H,22,26).
What are the key properties of 5-(4-tert-butylphenyl)-3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione?
5-(4-tert-butylphenyl)-3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 404.92 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-tert-butylphenyl)-3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 3998929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).