5-(2-bicyclo[2.2.2]oct-5-enyl)-3-[2-(3-hydroxyphenyl)-2-oxoethyl]-1,5-dimethylimidazolidine-2,4-dione

C21H24N2O4 — CID 123858371

IUPAC5-(2-bicyclo[2.2.2]oct-5-enyl)-3-[2-(3-hydroxyphenyl)-2-oxoethyl]-1,5-dimethylimidazolidine-2,4-dione
SMILESCN1C(=O)N(CC(=O)c2cccc(O)c2)C(=O)C1(C)C1CC2C=CC1CC2
InChIInChI=1S/C21H24N2O4/c1-21(17-10-13-6-8-14(17)9-7-13)19(26)23(20(27)22(21)2)12-18(25)15-4-3-5-16(24)11-15/h3-6,8,11,13-14,17,24H,7,9-10,12H2,1-2H3
InChIKeyAFAPEZANCBKEDB-UHFFFAOYSA-N
MW368.43 g/mol
LogP2.83
Rot. Bonds4

About 5-(2-bicyclo[2.2.2]oct-5-enyl)-3-[2-(3-hydroxyphenyl)-2-oxoethyl]-1,5-dimethylimidazolidine-2,4-dione

5-(2-bicyclo[2.2.2]oct-5-enyl)-3-[2-(3-hydroxyphenyl)-2-oxoethyl]-1,5-dimethylimidazolidine-2,4-dione (PubChem CID 123858371) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is 5-(2-bicyclo[2.2.2]oct-5-enyl)-3-[2-(3-hydroxyphenyl)-2-oxoethyl]-1,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(2-bicyclo[2.2.2]oct-5-enyl)-3-[2-(3-hydroxyphenyl)-2-oxoethyl]-1,5-dimethylimidazolidine-2,4-dione
PubChem CID123858371
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name5-(2-bicyclo[2.2.2]oct-5-enyl)-3-[2-(3-hydroxyphenyl)-2-oxoethyl]-1,5-dimethylimidazolidine-2,4-dione
SMILESCN1C(=O)N(CC(=O)c2cccc(O)c2)C(=O)C1(C)C1CC2C=CC1CC2
InChIInChI=1S/C21H24N2O4/c1-21(17-10-13-6-8-14(17)9-7-13)19(26)23(20(27)22(21)2)12-18(25)15-4-3-5-16(24)11-15/h3-6,8,11,13-14,17,24H,7,9-10,12H2,1-2H3
InChIKeyAFAPEZANCBKEDB-UHFFFAOYSA-N
XLogP2.83
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2-bicyclo[2.2.2]oct-5-enyl)-3-[2-(3-hydroxyphenyl)-2-oxoethyl]-1,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 5-(2-bicyclo[2.2.2]oct-5-enyl)-3-[2-(3-hydroxyphenyl)-2-oxoethyl]-1,5-dimethylimidazolidine-2,4-dione (CID 123858371) is 5-(2-bicyclo[2.2.2]oct-5-enyl)-3-[2-(3-hydroxyphenyl)-2-oxoethyl]-1,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 5-(2-bicyclo[2.2.2]oct-5-enyl)-3-[2-(3-hydroxyphenyl)-2-oxoethyl]-1,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 5-(2-bicyclo[2.2.2]oct-5-enyl)-3-[2-(3-hydroxyphenyl)-2-oxoethyl]-1,5-dimethylimidazolidine-2,4-dione is CN1C(=O)N(CC(=O)c2cccc(O)c2)C(=O)C1(C)C1CC2C=CC1CC2.
What is the InChIKey of 5-(2-bicyclo[2.2.2]oct-5-enyl)-3-[2-(3-hydroxyphenyl)-2-oxoethyl]-1,5-dimethylimidazolidine-2,4-dione?
The InChIKey is AFAPEZANCBKEDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-21(17-10-13-6-8-14(17)9-7-13)19(26)23(20(27)22(21)2)12-18(25)15-4-3-5-16(24)11-15/h3-6,8,11,13-14,17,24H,7,9-10,12H2,1-2H3.
What are the key properties of 5-(2-bicyclo[2.2.2]oct-5-enyl)-3-[2-(3-hydroxyphenyl)-2-oxoethyl]-1,5-dimethylimidazolidine-2,4-dione?
5-(2-bicyclo[2.2.2]oct-5-enyl)-3-[2-(3-hydroxyphenyl)-2-oxoethyl]-1,5-dimethylimidazolidine-2,4-dione has a molecular weight of 368.43 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bicyclo[2.2.2]oct-5-enyl)-3-[2-(3-hydroxyphenyl)-2-oxoethyl]-1,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 123858371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).