1,5-dimethyl-5-[(1S,5R)-3-methyl-3-bicyclo[3.3.1]nonanyl]-3-phenacylimidazolidine-2,4-dione

C23H30N2O3 — CID 126729135

IUPAC1,5-dimethyl-5-[(1S,5R)-3-methyl-3-bicyclo[3.3.1]nonanyl]-3-phenacylimidazolidine-2,4-dione
SMILESCN1C(=O)N(CC(=O)c2ccccc2)C(=O)C1(C)C1(C)C[C@@H]2CCC[C@@H](C2)C1
InChIInChI=1S/C23H30N2O3/c1-22(13-16-8-7-9-17(12-16)14-22)23(2)20(27)25(21(28)24(23)3)15-19(26)18-10-5-4-6-11-18/h4-6,10-11,16-17H,7-9,12-15H2,1-3H3/t16-,17+,22?,23?
InChIKeyDCSZNAFYDONOSP-WDXRGRCHSA-N
MW382.50 g/mol
LogP4.13
Rot. Bonds4

About 1,5-dimethyl-5-[(1S,5R)-3-methyl-3-bicyclo[3.3.1]nonanyl]-3-phenacylimidazolidine-2,4-dione

1,5-dimethyl-5-[(1S,5R)-3-methyl-3-bicyclo[3.3.1]nonanyl]-3-phenacylimidazolidine-2,4-dione (PubChem CID 126729135) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is 1,5-dimethyl-5-[(1S,5R)-3-methyl-3-bicyclo[3.3.1]nonanyl]-3-phenacylimidazolidine-2,4-dione.

Molecular Properties

Compound Name1,5-dimethyl-5-[(1S,5R)-3-methyl-3-bicyclo[3.3.1]nonanyl]-3-phenacylimidazolidine-2,4-dione
PubChem CID126729135
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC Name1,5-dimethyl-5-[(1S,5R)-3-methyl-3-bicyclo[3.3.1]nonanyl]-3-phenacylimidazolidine-2,4-dione
SMILESCN1C(=O)N(CC(=O)c2ccccc2)C(=O)C1(C)C1(C)C[C@@H]2CCC[C@@H](C2)C1
InChIInChI=1S/C23H30N2O3/c1-22(13-16-8-7-9-17(12-16)14-22)23(2)20(27)25(21(28)24(23)3)15-19(26)18-10-5-4-6-11-18/h4-6,10-11,16-17H,7-9,12-15H2,1-3H3/t16-,17+,22?,23?
InChIKeyDCSZNAFYDONOSP-WDXRGRCHSA-N
XLogP4.13
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1,5-dimethyl-5-[(1S,5R)-3-methyl-3-bicyclo[3.3.1]nonanyl]-3-phenacylimidazolidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-5-[(1S,5R)-3-methyl-3-bicyclo[3.3.1]nonanyl]-3-phenacylimidazolidine-2,4-dione?
The IUPAC name of 1,5-dimethyl-5-[(1S,5R)-3-methyl-3-bicyclo[3.3.1]nonanyl]-3-phenacylimidazolidine-2,4-dione (CID 126729135) is 1,5-dimethyl-5-[(1S,5R)-3-methyl-3-bicyclo[3.3.1]nonanyl]-3-phenacylimidazolidine-2,4-dione.
What is the SMILES notation for 1,5-dimethyl-5-[(1S,5R)-3-methyl-3-bicyclo[3.3.1]nonanyl]-3-phenacylimidazolidine-2,4-dione?
The canonical SMILES for 1,5-dimethyl-5-[(1S,5R)-3-methyl-3-bicyclo[3.3.1]nonanyl]-3-phenacylimidazolidine-2,4-dione is CN1C(=O)N(CC(=O)c2ccccc2)C(=O)C1(C)C1(C)C[C@@H]2CCC[C@@H](C2)C1.
What is the InChIKey of 1,5-dimethyl-5-[(1S,5R)-3-methyl-3-bicyclo[3.3.1]nonanyl]-3-phenacylimidazolidine-2,4-dione?
The InChIKey is DCSZNAFYDONOSP-WDXRGRCHSA-N. The full InChI is InChI=1S/C23H30N2O3/c1-22(13-16-8-7-9-17(12-16)14-22)23(2)20(27)25(21(28)24(23)3)15-19(26)18-10-5-4-6-11-18/h4-6,10-11,16-17H,7-9,12-15H2,1-3H3/t16-,17+,22?,23?.
What are the key properties of 1,5-dimethyl-5-[(1S,5R)-3-methyl-3-bicyclo[3.3.1]nonanyl]-3-phenacylimidazolidine-2,4-dione?
1,5-dimethyl-5-[(1S,5R)-3-methyl-3-bicyclo[3.3.1]nonanyl]-3-phenacylimidazolidine-2,4-dione has a molecular weight of 382.50 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-5-[(1S,5R)-3-methyl-3-bicyclo[3.3.1]nonanyl]-3-phenacylimidazolidine-2,4-dione is sourced from PubChem (CID 126729135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).