5-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]-3-[2-(3-hydroxyphenyl)-2-oxoethyl]-1,5-dimethylimidazolidine-2,4-dione

C20H24N2O4 — CID 118599524

IUPAC5-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]-3-[2-(3-hydroxyphenyl)-2-oxoethyl]-1,5-dimethylimidazolidine-2,4-dione
SMILESCN1C(=O)N(CC(=O)c2cccc(O)c2)C(=O)C1(C)C1C[C@@H]2CC[C@H]1C2
InChIInChI=1S/C20H24N2O4/c1-20(16-9-12-6-7-13(16)8-12)18(25)22(19(26)21(20)2)11-17(24)14-4-3-5-15(23)10-14/h3-5,10,12-13,16,23H,6-9,11H2,1-2H3/t12-,13+,16?,20?/m1/s1
InChIKeyJJSXVATYXKEOHT-SLQYCSHZSA-N
MW356.42 g/mol
LogP2.66
Rot. Bonds4

About 5-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]-3-[2-(3-hydroxyphenyl)-2-oxoethyl]-1,5-dimethylimidazolidine-2,4-dione

5-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]-3-[2-(3-hydroxyphenyl)-2-oxoethyl]-1,5-dimethylimidazolidine-2,4-dione (PubChem CID 118599524) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is 5-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]-3-[2-(3-hydroxyphenyl)-2-oxoethyl]-1,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]-3-[2-(3-hydroxyphenyl)-2-oxoethyl]-1,5-dimethylimidazolidine-2,4-dione
PubChem CID118599524
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name5-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]-3-[2-(3-hydroxyphenyl)-2-oxoethyl]-1,5-dimethylimidazolidine-2,4-dione
SMILESCN1C(=O)N(CC(=O)c2cccc(O)c2)C(=O)C1(C)C1C[C@@H]2CC[C@H]1C2
InChIInChI=1S/C20H24N2O4/c1-20(16-9-12-6-7-13(16)8-12)18(25)22(19(26)21(20)2)11-17(24)14-4-3-5-15(23)10-14/h3-5,10,12-13,16,23H,6-9,11H2,1-2H3/t12-,13+,16?,20?/m1/s1
InChIKeyJJSXVATYXKEOHT-SLQYCSHZSA-N
XLogP2.66
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 52.66
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

5-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-3-[2-(3-hydroxyphenyl)-2-oxoethyl]-1,5-dimethylimidazolidine-2,4-dione
CID 118599544
5-[(2S)-2-bicyclo[2.2.2]octanyl]-3-[2-(3-hydroxyphenyl)-2-oxoethyl]-1,5-dimethylimidazolidine-2,4-dione
CID 118599469
5-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-1,5-dimethyl-3-[2-(3-methylphenyl)-2-oxoethyl]imidazolidine-2,4-dione
CID 158611738
5-(2-bicyclo[2.2.2]oct-5-enyl)-3-[2-(3-hydroxyphenyl)-2-oxoethyl]-1,5-dimethylimidazolidine-2,4-dione
CID 123858371
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
5-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-1,5-dimethyl-3-[2-(3-methylphenyl)-2-oxoethyl]imidazolidine-2,4-dione;5-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]-1,5-dimethyl-3-[2-(3-methylphenyl)-2-oxoethyl]imidazolidine-2,4-dione;5-(2-bicyclo[2.2.2]octanyl)-1,5-dimethyl-3-phenacylimidazolidine-2,4-dione;5-[(1S,2S,4S)-2-bicyclo[2.2.2]oct-5-enyl]-1,5-dimethyl-3-phenacylimidazolidine-2,4-dione;5-cyclohexyl-3-(2-cyclopenta-1,4-dien-1-yl-2-oxoethyl)-1,5-dimethylimidazolidine-2,4-dione;5-cyclohexyl-1,5-dimethyl-3-[2-(3-methylphenyl)-2-oxoethyl]imidazolidine-2,4-dione;5-cyclohexyl-3-[2-(3-hydroxy-5-methylphenyl)-2-oxoethyl]-1,5-dimethylimidazolidine-2,4-dione
CID 159000734
5-cyclobutyl-1,5-dimethyl-3-phenacylimidazolidine-2,4-dione
CID 78324504
1,5-dimethyl-5-[(1S,5R)-3-methyl-3-bicyclo[3.3.1]nonanyl]-3-phenacylimidazolidine-2,4-dione
CID 126729135
(5S)-5-(cyclohexylmethyl)-1,5-dimethyl-3-phenacylimidazolidine-2,4-dione
CID 126729237
5-cyclohexyl-3-[2-(2-fluorophenyl)-2-oxoethyl]-1,5-dimethylimidazolidine-2,4-dione
CID 90359173
4-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4,5-dimethyl-2-(2-oxo-2-thiophen-3-ylethyl)pyrazol-3-one
CID 90371452
4-[(2S)-2-bicyclo[2.2.1]heptanyl]-2-(2-cyclopenta-1,3-dien-1-yl-2-oxoethyl)-4,5-dimethylpyrazol-3-one;4-[(2R)-2-bicyclo[2.2.1]heptanyl]-2-(2-cyclopenta-1,3-dien-1-yl-2-oxoethyl)-4,5-dimethylpyrazol-3-one;(4S)-4-(2-bicyclo[2.2.1]heptanyl)-2-(2-cyclopenta-1,3-dien-1-yl-2-oxoethyl)-4,5-dimethylpyrazol-3-one;(4S)-4-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4,5-dimethyl-2-phenacylpyrazol-3-one
CID 161160265

Frequently Asked Questions

What is the IUPAC name of 5-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]-3-[2-(3-hydroxyphenyl)-2-oxoethyl]-1,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 5-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]-3-[2-(3-hydroxyphenyl)-2-oxoethyl]-1,5-dimethylimidazolidine-2,4-dione (CID 118599524) is 5-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]-3-[2-(3-hydroxyphenyl)-2-oxoethyl]-1,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 5-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]-3-[2-(3-hydroxyphenyl)-2-oxoethyl]-1,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 5-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]-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)C1C[C@@H]2CC[C@H]1C2.
What is the InChIKey of 5-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]-3-[2-(3-hydroxyphenyl)-2-oxoethyl]-1,5-dimethylimidazolidine-2,4-dione?
The InChIKey is JJSXVATYXKEOHT-SLQYCSHZSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-20(16-9-12-6-7-13(16)8-12)18(25)22(19(26)21(20)2)11-17(24)14-4-3-5-15(23)10-14/h3-5,10,12-13,16,23H,6-9,11H2,1-2H3/t12-,13+,16?,20?/m1/s1.
What are the key properties of 5-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]-3-[2-(3-hydroxyphenyl)-2-oxoethyl]-1,5-dimethylimidazolidine-2,4-dione?
5-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]-3-[2-(3-hydroxyphenyl)-2-oxoethyl]-1,5-dimethylimidazolidine-2,4-dione has a molecular weight of 356.42 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]-3-[2-(3-hydroxyphenyl)-2-oxoethyl]-1,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 118599524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).