2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-methoxyethylamino)propan-2-yl]phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-[2-methoxyethyl(methyl)amino]propan-2-yl]phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-[methyl(2-methylsulfonylethyl)amino]propan-2-yl]phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(4-methylpiperazin-1-yl)propan-2-yl]phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-morpholin-4-ylpropan-2-yl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone

C135H192N16O10S — CID 161279744

About 2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-methoxyethylamino)propan-2-yl]phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-[2-methoxyethyl(methyl)amino]propan-2-yl]phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-[methyl(2-methylsulfonylethyl)amino]propan-2-yl]phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(4-methylpiperazin-1-yl)propan-2-yl]phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-morpholin-4-ylpropan-2-yl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone

2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-methoxyethylamino)propan-2-yl]phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-[2-methoxyethyl(methyl)amino]propan-2-yl]phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-[methyl(2-methylsulfonylethyl)amino]propan-2-yl]phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(4-methylpiperazin-1-yl)propan-2-yl]phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-morpholin-4-ylpropan-2-yl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone (PubChem CID 161279744) has the molecular formula C135H192N16O10S and a molecular weight of 2231.19 g/mol. Its IUPAC name is 2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-methoxyethylamino)propan-2-yl]phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-[2-methoxyethyl(methyl)amino]propan-2-yl]phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-[methyl(2-methylsulfonylethyl)amino]propan-2-yl]phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(4-methylpiperazin-1-yl)propan-2-yl]phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-morpholin-4-ylpropan-2-yl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone.

Molecular Properties

• Compound Name: 2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-methoxyethylamino)propan-2-yl]phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-[2-methoxyethyl(methyl)amino]propan-2-yl]phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-[methyl(2-methylsulfonylethyl)amino]propan-2-yl]phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(4-methylpiperazin-1-yl)propan-2-yl]phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-morpholin-4-ylpropan-2-yl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone
• PubChem CID: 161279744
• Molecular Formula: C135H192N16O10S
• Molecular Weight: 2231.19 g/mol
• Exact Mass: 2229.47
• IUPAC Name: 2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-methoxyethylamino)propan-2-yl]phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-[2-methoxyethyl(methyl)amino]propan-2-yl]phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-[methyl(2-methylsulfonylethyl)amino]propan-2-yl]phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(4-methylpiperazin-1-yl)propan-2-yl]phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-morpholin-4-ylpropan-2-yl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone
• SMILES: COCCN(C)C(C)(C)c1ccc(CC(=O)c2ncc(C)[nH]2)c(C2=CCC(C)(C)CC2)c1.COCCNC(C)(C)c1ccc(CC(=O)c2ncc(C)[nH]2)c(C2=CCC(C)(C)CC2)c1.Cc1cnc(C(=O)Cc2ccc(C(C)(C)N(C)CCS(C)(=O)=O)cc2C2=CCC(C)(C)CC2)[nH]1.Cc1cnc(C(=O)Cc2ccc(C(C)(C)N3CCN(C)CC3)cc2C2=CCC(C)(C)CC2)[nH]1.Cc1cnc(C(=O)Cc2ccc(C(C)(C)N3CCOCC3)cc2C2=CCC(C)(C)CC2)[nH]1
• InChI: InChI=1S/C28H40N4O.C27H39N3O3S.C27H37N3O2.C27H39N3O2.C26H37N3O2/c1-20-19-29-26(30-20)25(33)17-22-7-8-23(28(4,5)32-15-13-31(6)14-16-32)18-24(22)21-9-11-27(2,3)12-10-21;1-19-18-28-25(29-19)24(31)16-21-8-9-22(27(4,5)30(6)14-15-34(7,32)33)17-23(21)20-10-12-26(2,3)13-11-20;1-19-18-28-25(29-19)24(31)16-21-6-7-22(27(4,5)30-12-14-32-15-13-30)17-23(21)20-8-10-26(2,3)11-9-20;1-19-18-28-25(29-19)24(31)16-21-8-9-22(27(4,5)30(6)14-15-32-7)17-23(21)20-10-12-26(2,3)13-11-20;1-18-17-27-24(29-18)23(30)15-20-7-8-21(26(4,5)28-13-14-31-6)16-22(20)19-9-11-25(2,3)12-10-19/h7-9,18-19H,10-17H2,1-6H3,(H,29,30);8-10,17-18H,11-16H2,1-7H3,(H,28,29);6-8,17-18H,9-16H2,1-5H3,(H,28,29);8-10,17-18H,11-16H2,1-7H3,(H,28,29);7-9,16-17,28H,10-15H2,1-6H3,(H,27,29)
• InChIKey: VEXPBSGZMQCZQS-UHFFFAOYSA-N
• XLogP: 26.23
• TPSA: 318.81 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 21
• Rotatable Bonds: 39
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2231.19
LogP ≤ 5	26.23
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-methoxyethylamino)propan-2-yl]phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-[2-methoxyethyl(methyl)amino]propan-2-yl]phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-[methyl(2-methylsulfonylethyl)amino]propan-2-yl]phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(4-methylpiperazin-1-yl)propan-2-yl]phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-morpholin-4-ylpropan-2-yl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone?

The IUPAC name of 2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-methoxyethylamino)propan-2-yl]phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-[2-methoxyethyl(methyl)amino]propan-2-yl]phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-[methyl(2-methylsulfonylethyl)amino]propan-2-yl]phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(4-methylpiperazin-1-yl)propan-2-yl]phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-morpholin-4-ylpropan-2-yl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone (CID 161279744) is 2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-methoxyethylamino)propan-2-yl]phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-[2-methoxyethyl(methyl)amino]propan-2-yl]phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-[methyl(2-methylsulfonylethyl)amino]propan-2-yl]phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(4-methylpiperazin-1-yl)propan-2-yl]phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-morpholin-4-ylpropan-2-yl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone.

What is the SMILES notation for 2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-methoxyethylamino)propan-2-yl]phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-[2-methoxyethyl(methyl)amino]propan-2-yl]phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-[methyl(2-methylsulfonylethyl)amino]propan-2-yl]phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(4-methylpiperazin-1-yl)propan-2-yl]phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-morpholin-4-ylpropan-2-yl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone?

The canonical SMILES for 2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-methoxyethylamino)propan-2-yl]phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-[2-methoxyethyl(methyl)amino]propan-2-yl]phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-[methyl(2-methylsulfonylethyl)amino]propan-2-yl]phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(4-methylpiperazin-1-yl)propan-2-yl]phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-morpholin-4-ylpropan-2-yl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone is COCCN(C)C(C)(C)c1ccc(CC(=O)c2ncc(C)[nH]2)c(C2=CCC(C)(C)CC2)c1.COCCNC(C)(C)c1ccc(CC(=O)c2ncc(C)[nH]2)c(C2=CCC(C)(C)CC2)c1.Cc1cnc(C(=O)Cc2ccc(C(C)(C)N(C)CCS(C)(=O)=O)cc2C2=CCC(C)(C)CC2)[nH]1.Cc1cnc(C(=O)Cc2ccc(C(C)(C)N3CCN(C)CC3)cc2C2=CCC(C)(C)CC2)[nH]1.Cc1cnc(C(=O)Cc2ccc(C(C)(C)N3CCOCC3)cc2C2=CCC(C)(C)CC2)[nH]1.

What is the InChIKey of 2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-methoxyethylamino)propan-2-yl]phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-[2-methoxyethyl(methyl)amino]propan-2-yl]phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-[methyl(2-methylsulfonylethyl)amino]propan-2-yl]phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(4-methylpiperazin-1-yl)propan-2-yl]phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-morpholin-4-ylpropan-2-yl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone?

The InChIKey is VEXPBSGZMQCZQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H40N4O.C27H39N3O3S.C27H37N3O2.C27H39N3O2.C26H37N3O2/c1-20-19-29-26(30-20)25(33)17-22-7-8-23(28(4,5)32-15-13-31(6)14-16-32)18-24(22)21-9-11-27(2,3)12-10-21;1-19-18-28-25(29-19)24(31)16-21-8-9-22(27(4,5)30(6)14-15-34(7,32)33)17-23(21)20-10-12-26(2,3)13-11-20;1-19-18-28-25(29-19)24(31)16-21-6-7-22(27(4,5)30-12-14-32-15-13-30)17-23(21)20-8-10-26(2,3)11-9-20;1-19-18-28-25(29-19)24(31)16-21-8-9-22(27(4,5)30(6)14-15-32-7)17-23(21)20-10-12-26(2,3)13-11-20;1-18-17-27-24(29-18)23(30)15-20-7-8-21(26(4,5)28-13-14-31-6)16-22(20)19-9-11-25(2,3)12-10-19/h7-9,18-19H,10-17H2,1-6H3,(H,29,30);8-10,17-18H,11-16H2,1-7H3,(H,28,29);6-8,17-18H,9-16H2,1-5H3,(H,28,29);8-10,17-18H,11-16H2,1-7H3,(H,28,29);7-9,16-17,28H,10-15H2,1-6H3,(H,27,29).

What are the key properties of 2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-methoxyethylamino)propan-2-yl]phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-[2-methoxyethyl(methyl)amino]propan-2-yl]phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-[methyl(2-methylsulfonylethyl)amino]propan-2-yl]phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(4-methylpiperazin-1-yl)propan-2-yl]phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-morpholin-4-ylpropan-2-yl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone?

2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-methoxyethylamino)propan-2-yl]phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-[2-methoxyethyl(methyl)amino]propan-2-yl]phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-[methyl(2-methylsulfonylethyl)amino]propan-2-yl]phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(4-methylpiperazin-1-yl)propan-2-yl]phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-morpholin-4-ylpropan-2-yl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone has a molecular weight of 2231.19 g/mol, XLogP of 26.23, 39 rotatable bonds, 6 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-methoxyethylamino)propan-2-yl]phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-[2-methoxyethyl(methyl)amino]propan-2-yl]phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-[methyl(2-methylsulfonylethyl)amino]propan-2-yl]phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(4-methylpiperazin-1-yl)propan-2-yl]phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-morpholin-4-ylpropan-2-yl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone is sourced from PubChem (CID 161279744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).