5-[(1S,4S)-2-bicyclo[2.2.1]hept-5-enyl]-1,5-dimethyl-3-[2-oxo-2-(9-tricyclo[4.2.1.12,5]deca-1,5-dienyl)ethyl]imidazolidine-2,4-dione

C24H28N2O3 — CID 138510093

IUPAC5-[(1S,4S)-2-bicyclo[2.2.1]hept-5-enyl]-1,5-dimethyl-3-[2-oxo-2-(9-tricyclo[4.2.1.12,5]deca-1,5-dienyl)ethyl]imidazolidine-2,4-dione
SMILESCN1C(=O)N(CC(=O)C2C3=C4CCC(=C2CC3)C4)C(=O)C1(C)C1C[C@H]2C=C[C@@H]1C2
InChIInChI=1S/C24H28N2O3/c1-24(19-10-13-3-4-16(19)9-13)22(28)26(23(29)25(24)2)12-20(27)21-17-7-8-18(21)15-6-5-14(17)11-15/h3-4,13,16,19,21H,5-12H2,1-2H3/t13-,16+,19?,24?/m0/s1
InChIKeyWCPRALVXBNQCNC-SVYNDEHESA-N
MW392.50 g/mol
LogP3.62
Rot. Bonds4

About 5-[(1S,4S)-2-bicyclo[2.2.1]hept-5-enyl]-1,5-dimethyl-3-[2-oxo-2-(9-tricyclo[4.2.1.12,5]deca-1,5-dienyl)ethyl]imidazolidine-2,4-dione

5-[(1S,4S)-2-bicyclo[2.2.1]hept-5-enyl]-1,5-dimethyl-3-[2-oxo-2-(9-tricyclo[4.2.1.12,5]deca-1,5-dienyl)ethyl]imidazolidine-2,4-dione (PubChem CID 138510093) has the molecular formula C24H28N2O3 and a molecular weight of 392.50 g/mol. Its IUPAC name is 5-[(1S,4S)-2-bicyclo[2.2.1]hept-5-enyl]-1,5-dimethyl-3-[2-oxo-2-(9-tricyclo[4.2.1.12,5]deca-1,5-dienyl)ethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[(1S,4S)-2-bicyclo[2.2.1]hept-5-enyl]-1,5-dimethyl-3-[2-oxo-2-(9-tricyclo[4.2.1.12,5]deca-1,5-dienyl)ethyl]imidazolidine-2,4-dione
PubChem CID138510093
Molecular FormulaC24H28N2O3
Molecular Weight392.50 g/mol
Exact Mass392.21
IUPAC Name5-[(1S,4S)-2-bicyclo[2.2.1]hept-5-enyl]-1,5-dimethyl-3-[2-oxo-2-(9-tricyclo[4.2.1.12,5]deca-1,5-dienyl)ethyl]imidazolidine-2,4-dione
SMILESCN1C(=O)N(CC(=O)C2C3=C4CCC(=C2CC3)C4)C(=O)C1(C)C1C[C@H]2C=C[C@@H]1C2
InChIInChI=1S/C24H28N2O3/c1-24(19-10-13-3-4-16(19)9-13)22(28)26(23(29)25(24)2)12-20(27)21-17-7-8-18(21)15-6-5-14(17)11-15/h3-4,13,16,19,21H,5-12H2,1-2H3/t13-,16+,19?,24?/m0/s1
InChIKeyWCPRALVXBNQCNC-SVYNDEHESA-N
XLogP3.62
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(cyclopentylmethyl)-1,5-dimethyl-3-[2-oxo-2-(9-tricyclo[4.2.1.12,5]deca-1,5-dienyl)ethyl]imidazolidine-2,4-dione
CID 138510290
5-(2-bicyclo[2.2.2]oct-5-enyl)-3-[2-(3-hydroxyphenyl)-2-oxoethyl]-1,5-dimethylimidazolidine-2,4-dione
CID 123858371
3-(2-cyclohexyl-2-oxoethyl)-1,5-dimethyl-5-(2-methylcyclopentyl)imidazolidine-2,4-dione
CID 90371569
5-[(1S,2S,4S)-2-bicyclo[2.2.2]oct-5-enyl]-5-methyl-3-phenacylimidazolidine-2,4-dione
CID 118599504
5-[(2S)-2-bicyclo[2.2.2]octanyl]-3-[2-(3-hydroxyphenyl)-2-oxoethyl]-1,5-dimethylimidazolidine-2,4-dione
CID 118599469
5-cyclobutyl-1,5-dimethyl-3-phenacylimidazolidine-2,4-dione
CID 78324504
5-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]-3-[2-(3-hydroxyphenyl)-2-oxoethyl]-1,5-dimethylimidazolidine-2,4-dione
CID 118599524
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-[(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-cyclohexyl-3-[2-(2-fluorophenyl)-2-oxoethyl]-1,5-dimethylimidazolidine-2,4-dione
CID 90359173
5-[(5S)-5-ethylcyclohex-3-en-1-yl]-1,5-dimethyl-3-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]imidazolidine-2,4-dione
CID 126729139
3-[(4Z)-5-amino-3-methylidene-2-oxoocta-4,7-dienyl]-5-cyclohexyl-1,5-dimethylimidazolidine-2,4-dione
CID 138510073

Frequently Asked Questions

What is the IUPAC name of 5-[(1S,4S)-2-bicyclo[2.2.1]hept-5-enyl]-1,5-dimethyl-3-[2-oxo-2-(9-tricyclo[4.2.1.12,5]deca-1,5-dienyl)ethyl]imidazolidine-2,4-dione?
The IUPAC name of 5-[(1S,4S)-2-bicyclo[2.2.1]hept-5-enyl]-1,5-dimethyl-3-[2-oxo-2-(9-tricyclo[4.2.1.12,5]deca-1,5-dienyl)ethyl]imidazolidine-2,4-dione (CID 138510093) is 5-[(1S,4S)-2-bicyclo[2.2.1]hept-5-enyl]-1,5-dimethyl-3-[2-oxo-2-(9-tricyclo[4.2.1.12,5]deca-1,5-dienyl)ethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-[(1S,4S)-2-bicyclo[2.2.1]hept-5-enyl]-1,5-dimethyl-3-[2-oxo-2-(9-tricyclo[4.2.1.12,5]deca-1,5-dienyl)ethyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-[(1S,4S)-2-bicyclo[2.2.1]hept-5-enyl]-1,5-dimethyl-3-[2-oxo-2-(9-tricyclo[4.2.1.12,5]deca-1,5-dienyl)ethyl]imidazolidine-2,4-dione is CN1C(=O)N(CC(=O)C2C3=C4CCC(=C2CC3)C4)C(=O)C1(C)C1C[C@H]2C=C[C@@H]1C2.
What is the InChIKey of 5-[(1S,4S)-2-bicyclo[2.2.1]hept-5-enyl]-1,5-dimethyl-3-[2-oxo-2-(9-tricyclo[4.2.1.12,5]deca-1,5-dienyl)ethyl]imidazolidine-2,4-dione?
The InChIKey is WCPRALVXBNQCNC-SVYNDEHESA-N. The full InChI is InChI=1S/C24H28N2O3/c1-24(19-10-13-3-4-16(19)9-13)22(28)26(23(29)25(24)2)12-20(27)21-17-7-8-18(21)15-6-5-14(17)11-15/h3-4,13,16,19,21H,5-12H2,1-2H3/t13-,16+,19?,24?/m0/s1.
What are the key properties of 5-[(1S,4S)-2-bicyclo[2.2.1]hept-5-enyl]-1,5-dimethyl-3-[2-oxo-2-(9-tricyclo[4.2.1.12,5]deca-1,5-dienyl)ethyl]imidazolidine-2,4-dione?
5-[(1S,4S)-2-bicyclo[2.2.1]hept-5-enyl]-1,5-dimethyl-3-[2-oxo-2-(9-tricyclo[4.2.1.12,5]deca-1,5-dienyl)ethyl]imidazolidine-2,4-dione has a molecular weight of 392.50 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1S,4S)-2-bicyclo[2.2.1]hept-5-enyl]-1,5-dimethyl-3-[2-oxo-2-(9-tricyclo[4.2.1.12,5]deca-1,5-dienyl)ethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 138510093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).