1-[2-(4-tert-butylphenyl)-2-oxoethyl]-3-cyclohexylimidazolidine-2,4,5-trione

C21H26N2O4 — CID 34604510

IUPAC1-[2-(4-tert-butylphenyl)-2-oxoethyl]-3-cyclohexylimidazolidine-2,4,5-trione
SMILESCC(C)(C)c1ccc(C(=O)CN2C(=O)C(=O)N(C3CCCCC3)C2=O)cc1
InChIInChI=1S/C21H26N2O4/c1-21(2,3)15-11-9-14(10-12-15)17(24)13-22-18(25)19(26)23(20(22)27)16-7-5-4-6-8-16/h9-12,16H,4-8,13H2,1-3H3
InChIKeyMIEUQCPAFUEBRH-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.29
Rot. Bonds4

About 1-[2-(4-tert-butylphenyl)-2-oxoethyl]-3-cyclohexylimidazolidine-2,4,5-trione

1-[2-(4-tert-butylphenyl)-2-oxoethyl]-3-cyclohexylimidazolidine-2,4,5-trione (PubChem CID 34604510) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is 1-[2-(4-tert-butylphenyl)-2-oxoethyl]-3-cyclohexylimidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-[2-(4-tert-butylphenyl)-2-oxoethyl]-3-cyclohexylimidazolidine-2,4,5-trione
PubChem CID34604510
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC Name1-[2-(4-tert-butylphenyl)-2-oxoethyl]-3-cyclohexylimidazolidine-2,4,5-trione
SMILESCC(C)(C)c1ccc(C(=O)CN2C(=O)C(=O)N(C3CCCCC3)C2=O)cc1
InChIInChI=1S/C21H26N2O4/c1-21(2,3)15-11-9-14(10-12-15)17(24)13-22-18(25)19(26)23(20(22)27)16-7-5-4-6-8-16/h9-12,16H,4-8,13H2,1-3H3
InChIKeyMIEUQCPAFUEBRH-UHFFFAOYSA-N
XLogP3.29
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-tert-butylphenyl)-2-oxoethyl]-3-cyclohexylimidazolidine-2,4,5-trione?
The IUPAC name of 1-[2-(4-tert-butylphenyl)-2-oxoethyl]-3-cyclohexylimidazolidine-2,4,5-trione (CID 34604510) is 1-[2-(4-tert-butylphenyl)-2-oxoethyl]-3-cyclohexylimidazolidine-2,4,5-trione.
What is the SMILES notation for 1-[2-(4-tert-butylphenyl)-2-oxoethyl]-3-cyclohexylimidazolidine-2,4,5-trione?
The canonical SMILES for 1-[2-(4-tert-butylphenyl)-2-oxoethyl]-3-cyclohexylimidazolidine-2,4,5-trione is CC(C)(C)c1ccc(C(=O)CN2C(=O)C(=O)N(C3CCCCC3)C2=O)cc1.
What is the InChIKey of 1-[2-(4-tert-butylphenyl)-2-oxoethyl]-3-cyclohexylimidazolidine-2,4,5-trione?
The InChIKey is MIEUQCPAFUEBRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-21(2,3)15-11-9-14(10-12-15)17(24)13-22-18(25)19(26)23(20(22)27)16-7-5-4-6-8-16/h9-12,16H,4-8,13H2,1-3H3.
What are the key properties of 1-[2-(4-tert-butylphenyl)-2-oxoethyl]-3-cyclohexylimidazolidine-2,4,5-trione?
1-[2-(4-tert-butylphenyl)-2-oxoethyl]-3-cyclohexylimidazolidine-2,4,5-trione has a molecular weight of 370.45 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-tert-butylphenyl)-2-oxoethyl]-3-cyclohexylimidazolidine-2,4,5-trione is sourced from PubChem (CID 34604510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).