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

C142H178N14O22 — CID 159000734

About 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

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 (PubChem CID 159000734) has the molecular formula C142H178N14O22 and a molecular weight of 2433.06 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 159000734
• Molecular Formula: C142H178N14O22
• Molecular Weight: 2433.06 g/mol
• Exact Mass: 2431.32
• IUPAC Name: 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
• SMILES: CN1C(=O)N(CC(=O)C2=CCC=C2)C(=O)C1(C)C1CCCCC1.CN1C(=O)N(CC(=O)c2ccccc2)C(=O)C1(C)C1CC2CCC1CC2.CN1C(=O)N(CC(=O)c2ccccc2)C(=O)C1(C)[C@H]1C[C@H]2C=C[C@@H]1CC2.Cc1cc(O)cc(C(=O)CN2C(=O)N(C)C(C)(C3CCCCC3)C2=O)c1.Cc1cccc(C(=O)CN2C(=O)N(C)C(C)(C3CCCCC3)C2=O)c1.Cc1cccc(C(=O)CN2C(=O)N(C)C(C)(C3C[C@@H]4CC[C@H]3C4)C2=O)c1.Cc1cccc(C(=O)CN2C(=O)N(C)C(C)([C@@H]3C[C@@H]4CC[C@H]3C4)C2=O)c1
• InChI: InChI=1S/3C21H26N2O3.C21H24N2O3.C20H26N2O4.C20H26N2O3.C18H24N2O3/c2*1-13-5-4-6-16(9-13)18(24)12-23-19(25)21(2,22(3)20(23)26)17-11-14-7-8-15(17)10-14;2*1-21(17-12-14-8-10-15(17)11-9-14)19(25)23(20(26)22(21)2)13-18(24)16-6-4-3-5-7-16;1-13-9-14(11-16(23)10-13)17(24)12-22-18(25)20(2,21(3)19(22)26)15-7-5-4-6-8-15;1-14-8-7-9-15(12-14)17(23)13-22-18(24)20(2,21(3)19(22)25)16-10-5-4-6-11-16;1-18(14-10-4-3-5-11-14)16(22)20(17(23)19(18)2)12-15(21)13-8-6-7-9-13/h2*4-6,9,14-15,17H,7-8,10-12H2,1-3H3;3-7,14-15,17H,8-13H2,1-2H3;3-8,10,14-15,17H,9,11-13H2,1-2H3;9-11,15,23H,4-8,12H2,1-3H3;7-9,12,16H,4-6,10-11,13H2,1-3H3;6,8-9,14H,3-5,7,10-12H2,1-2H3/t14-,15+,17?,21?;14-,15+,17-,21?;;14-,15+,17-,21?;;;/m11.0.../s1
• InChIKey: JRHQCOFKBBCQFU-RZACQWCCSA-N
• XLogP: 22.21
• TPSA: 424.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 22
• Rotatable Bonds: 28
• Heavy Atoms: 178
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2433.06
LogP ≤ 5	22.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CN1C(=O)N(CC(=O)C2=CCC=C2)C(=O)C1(C)C1CCCCC1.CN1C(=O)N(CC(=O)c2ccccc2)C(=O)C1(C)C1CC2CCC1CC2.CN1C(=O)N(CC(=O)c2ccccc2)C(=O)C1(C)[C@H]1C[C@H]2C=C[C@@H]1CC2.Cc1cc(O)cc(C(=O)CN2C(=O)N(C)C(C)(C3CCCCC3)C2=O)c1.Cc1cccc(C(=O)CN2C(=O)N(C)C(C)(C3CCCCC3)C2=O)c1.Cc1cccc(C(=O)CN2C(=O)N(C)C(C)(C3C[C@@H]4CC[C@H]3C4)C2=O)c1.Cc1cccc(C(=O)CN2C(=O)N(C)C(C)([C@@H]3C[C@@H]4CC[C@H]3C4)C2=O)c1.

What is the InChIKey of 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?

The InChIKey is JRHQCOFKBBCQFU-RZACQWCCSA-N. The full InChI is InChI=1S/3C21H26N2O3.C21H24N2O3.C20H26N2O4.C20H26N2O3.C18H24N2O3/c2*1-13-5-4-6-16(9-13)18(24)12-23-19(25)21(2,22(3)20(23)26)17-11-14-7-8-15(17)10-14;2*1-21(17-12-14-8-10-15(17)11-9-14)19(25)23(20(26)22(21)2)13-18(24)16-6-4-3-5-7-16;1-13-9-14(11-16(23)10-13)17(24)12-22-18(25)20(2,21(3)19(22)26)15-7-5-4-6-8-15;1-14-8-7-9-15(12-14)17(23)13-22-18(24)20(2,21(3)19(22)25)16-10-5-4-6-11-16;1-18(14-10-4-3-5-11-14)16(22)20(17(23)19(18)2)12-15(21)13-8-6-7-9-13/h2*4-6,9,14-15,17H,7-8,10-12H2,1-3H3;3-7,14-15,17H,8-13H2,1-2H3;3-8,10,14-15,17H,9,11-13H2,1-2H3;9-11,15,23H,4-8,12H2,1-3H3;7-9,12,16H,4-6,10-11,13H2,1-3H3;6,8-9,14H,3-5,7,10-12H2,1-2H3/t14-,15+,17?,21?;14-,15+,17-,21?;;14-,15+,17-,21?;;;/m11.0.../s1.

What are the key properties of 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?

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 has a molecular weight of 2433.06 g/mol, XLogP of 22.21, 28 rotatable bonds, 1 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 159000734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).