5-(3-bicyclo[3.2.2]nona-1(7),5,8-trienyl)-3-[2-(3-hydroxyphenyl)-2-oxoethyl]-1,5-dimethylimidazolidine-2,4-dione

C22H22N2O4 — CID 123256787

IUPAC5-(3-bicyclo[3.2.2]nona-1(7),5,8-trienyl)-3-[2-(3-hydroxyphenyl)-2-oxoethyl]-1,5-dimethylimidazolidine-2,4-dione
SMILESCN1C(=O)N(CC(=O)c2cccc(O)c2)C(=O)C1(C)C1Cc2ccc(cc2)C1
InChIInChI=1S/C22H22N2O4/c1-22(17-10-14-6-7-15(11-17)9-8-14)20(27)24(21(28)23(22)2)13-19(26)16-4-3-5-18(25)12-16/h3-9,12,17,25H,10-11,13H2,1-2H3
InChIKeyACTBVUCZAFVLHD-UHFFFAOYSA-N
MW378.43 g/mol
LogP2.64
Rot. Bonds4

About 5-(3-bicyclo[3.2.2]nona-1(7),5,8-trienyl)-3-[2-(3-hydroxyphenyl)-2-oxoethyl]-1,5-dimethylimidazolidine-2,4-dione

5-(3-bicyclo[3.2.2]nona-1(7),5,8-trienyl)-3-[2-(3-hydroxyphenyl)-2-oxoethyl]-1,5-dimethylimidazolidine-2,4-dione (PubChem CID 123256787) has the molecular formula C22H22N2O4 and a molecular weight of 378.43 g/mol. Its IUPAC name is 5-(3-bicyclo[3.2.2]nona-1(7),5,8-trienyl)-3-[2-(3-hydroxyphenyl)-2-oxoethyl]-1,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(3-bicyclo[3.2.2]nona-1(7),5,8-trienyl)-3-[2-(3-hydroxyphenyl)-2-oxoethyl]-1,5-dimethylimidazolidine-2,4-dione
PubChem CID123256787
Molecular FormulaC22H22N2O4
Molecular Weight378.43 g/mol
Exact Mass378.16
IUPAC Name5-(3-bicyclo[3.2.2]nona-1(7),5,8-trienyl)-3-[2-(3-hydroxyphenyl)-2-oxoethyl]-1,5-dimethylimidazolidine-2,4-dione
SMILESCN1C(=O)N(CC(=O)c2cccc(O)c2)C(=O)C1(C)C1Cc2ccc(cc2)C1
InChIInChI=1S/C22H22N2O4/c1-22(17-10-14-6-7-15(11-17)9-8-14)20(27)24(21(28)23(22)2)13-19(26)16-4-3-5-18(25)12-16/h3-9,12,17,25H,10-11,13H2,1-2H3
InChIKeyACTBVUCZAFVLHD-UHFFFAOYSA-N
XLogP2.64
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(3-bicyclo[3.2.2]nona-1(7),5,8-trienyl)-3-[2-(3-hydroxyphenyl)-2-oxoethyl]-1,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 5-(3-bicyclo[3.2.2]nona-1(7),5,8-trienyl)-3-[2-(3-hydroxyphenyl)-2-oxoethyl]-1,5-dimethylimidazolidine-2,4-dione (CID 123256787) is 5-(3-bicyclo[3.2.2]nona-1(7),5,8-trienyl)-3-[2-(3-hydroxyphenyl)-2-oxoethyl]-1,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 5-(3-bicyclo[3.2.2]nona-1(7),5,8-trienyl)-3-[2-(3-hydroxyphenyl)-2-oxoethyl]-1,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 5-(3-bicyclo[3.2.2]nona-1(7),5,8-trienyl)-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)C1Cc2ccc(cc2)C1.
What is the InChIKey of 5-(3-bicyclo[3.2.2]nona-1(7),5,8-trienyl)-3-[2-(3-hydroxyphenyl)-2-oxoethyl]-1,5-dimethylimidazolidine-2,4-dione?
The InChIKey is ACTBVUCZAFVLHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4/c1-22(17-10-14-6-7-15(11-17)9-8-14)20(27)24(21(28)23(22)2)13-19(26)16-4-3-5-18(25)12-16/h3-9,12,17,25H,10-11,13H2,1-2H3.
What are the key properties of 5-(3-bicyclo[3.2.2]nona-1(7),5,8-trienyl)-3-[2-(3-hydroxyphenyl)-2-oxoethyl]-1,5-dimethylimidazolidine-2,4-dione?
5-(3-bicyclo[3.2.2]nona-1(7),5,8-trienyl)-3-[2-(3-hydroxyphenyl)-2-oxoethyl]-1,5-dimethylimidazolidine-2,4-dione has a molecular weight of 378.43 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bicyclo[3.2.2]nona-1(7),5,8-trienyl)-3-[2-(3-hydroxyphenyl)-2-oxoethyl]-1,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 123256787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).