2-[4-[2-(4-acetylpiperazin-1-yl)propan-2-yl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(4-ethylpiperazin-1-yl)propan-2-yl]phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;bis(2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-yl]phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone);2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-morpholin-4-ylethoxy)propan-2-yl]phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;hydrochloride

C145H208ClN19O10 — CID 160746601

About 2-[4-[2-(4-acetylpiperazin-1-yl)propan-2-yl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(4-ethylpiperazin-1-yl)propan-2-yl]phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;bis(2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-yl]phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone);2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-morpholin-4-ylethoxy)propan-2-yl]phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;hydrochloride

2-[4-[2-(4-acetylpiperazin-1-yl)propan-2-yl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(4-ethylpiperazin-1-yl)propan-2-yl]phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;bis(2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-yl]phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone);2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-morpholin-4-ylethoxy)propan-2-yl]phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;hydrochloride (PubChem CID 160746601) has the molecular formula C145H208ClN19O10 and a molecular weight of 2412.83 g/mol. Its IUPAC name is 2-[4-[2-(4-acetylpiperazin-1-yl)propan-2-yl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(4-ethylpiperazin-1-yl)propan-2-yl]phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;bis(2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-yl]phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone);2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-morpholin-4-ylethoxy)propan-2-yl]phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;hydrochloride.

Molecular Properties

• Compound Name: 2-[4-[2-(4-acetylpiperazin-1-yl)propan-2-yl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(4-ethylpiperazin-1-yl)propan-2-yl]phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;bis(2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-yl]phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone);2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-morpholin-4-ylethoxy)propan-2-yl]phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;hydrochloride
• PubChem CID: 160746601
• Molecular Formula: C145H208ClN19O10
• Molecular Weight: 2412.83 g/mol
• Exact Mass: 2410.60
• IUPAC Name: 2-[4-[2-(4-acetylpiperazin-1-yl)propan-2-yl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(4-ethylpiperazin-1-yl)propan-2-yl]phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;bis(2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-yl]phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone);2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-morpholin-4-ylethoxy)propan-2-yl]phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;hydrochloride
• SMILES: CC(=O)N1CCN(C(C)(C)c2ccc(CC(=O)c3ncc(C)[nH]3)c(C3=CCC(C)(C)CC3)c2)CC1.CCN1CCN(C(C)(C)c2ccc(CC(=O)c3ncc(C)[nH]3)c(C3=CCC(C)(C)CC3)c2)CC1.Cc1cnc(C(=O)Cc2ccc(C(C)(C)N3CCN(CCO)CC3)cc2C2=CCC(C)(C)CC2)[nH]1.Cc1cnc(C(=O)Cc2ccc(C(C)(C)N3CCN(CCO)CC3)cc2C2=CCC(C)(C)CC2)[nH]1.Cc1cnc(C(=O)Cc2ccc(C(C)(C)OCCN3CCOCC3)cc2C2=CCC(C)(C)CC2)[nH]1.Cl
• InChI: InChI=1S/C29H40N4O2.2C29H42N4O2.C29H42N4O.C29H41N3O3.ClH/c1-20-19-30-27(31-20)26(35)17-23-7-8-24(18-25(23)22-9-11-28(3,4)12-10-22)29(5,6)33-15-13-32(14-16-33)21(2)34;2*1-21-20-30-27(31-21)26(35)18-23-6-7-24(19-25(23)22-8-10-28(2,3)11-9-22)29(4,5)33-14-12-32(13-15-33)16-17-34;1-7-32-14-16-33(17-15-32)29(5,6)24-9-8-23(18-26(34)27-30-20-21(2)31-27)25(19-24)22-10-12-28(3,4)13-11-22;1-21-20-30-27(31-21)26(33)18-23-6-7-24(19-25(23)22-8-10-28(2,3)11-9-22)29(4,5)35-17-14-32-12-15-34-16-13-32;/h7-9,18-19H,10-17H2,1-6H3,(H,30,31);2*6-8,19-20,34H,9-18H2,1-5H3,(H,30,31);8-10,19-20H,7,11-18H2,1-6H3,(H,30,31);6-8,19-20H,9-18H2,1-5H3,(H,30,31);1H
• InChIKey: DMGQWKAPWIQGSW-UHFFFAOYSA-N
• XLogP: 25.65
• TPSA: 333.90 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 23
• Rotatable Bonds: 38
• Heavy Atoms: 175
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2412.83
LogP ≤ 5	25.65
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(4-acetylpiperazin-1-yl)propan-2-yl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(4-ethylpiperazin-1-yl)propan-2-yl]phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;bis(2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-yl]phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone);2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-morpholin-4-ylethoxy)propan-2-yl]phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;hydrochloride?

The IUPAC name of 2-[4-[2-(4-acetylpiperazin-1-yl)propan-2-yl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(4-ethylpiperazin-1-yl)propan-2-yl]phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;bis(2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-yl]phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone);2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-morpholin-4-ylethoxy)propan-2-yl]phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;hydrochloride (CID 160746601) is 2-[4-[2-(4-acetylpiperazin-1-yl)propan-2-yl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(4-ethylpiperazin-1-yl)propan-2-yl]phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;bis(2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-yl]phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone);2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-morpholin-4-ylethoxy)propan-2-yl]phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;hydrochloride.

What is the SMILES notation for 2-[4-[2-(4-acetylpiperazin-1-yl)propan-2-yl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(4-ethylpiperazin-1-yl)propan-2-yl]phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;bis(2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-yl]phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone);2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-morpholin-4-ylethoxy)propan-2-yl]phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;hydrochloride?

The canonical SMILES for 2-[4-[2-(4-acetylpiperazin-1-yl)propan-2-yl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(4-ethylpiperazin-1-yl)propan-2-yl]phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;bis(2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-yl]phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone);2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-morpholin-4-ylethoxy)propan-2-yl]phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;hydrochloride is CC(=O)N1CCN(C(C)(C)c2ccc(CC(=O)c3ncc(C)[nH]3)c(C3=CCC(C)(C)CC3)c2)CC1.CCN1CCN(C(C)(C)c2ccc(CC(=O)c3ncc(C)[nH]3)c(C3=CCC(C)(C)CC3)c2)CC1.Cc1cnc(C(=O)Cc2ccc(C(C)(C)N3CCN(CCO)CC3)cc2C2=CCC(C)(C)CC2)[nH]1.Cc1cnc(C(=O)Cc2ccc(C(C)(C)N3CCN(CCO)CC3)cc2C2=CCC(C)(C)CC2)[nH]1.Cc1cnc(C(=O)Cc2ccc(C(C)(C)OCCN3CCOCC3)cc2C2=CCC(C)(C)CC2)[nH]1.Cl.

What is the InChIKey of 2-[4-[2-(4-acetylpiperazin-1-yl)propan-2-yl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(4-ethylpiperazin-1-yl)propan-2-yl]phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;bis(2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-yl]phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone);2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-morpholin-4-ylethoxy)propan-2-yl]phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;hydrochloride?

The InChIKey is DMGQWKAPWIQGSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H40N4O2.2C29H42N4O2.C29H42N4O.C29H41N3O3.ClH/c1-20-19-30-27(31-20)26(35)17-23-7-8-24(18-25(23)22-9-11-28(3,4)12-10-22)29(5,6)33-15-13-32(14-16-33)21(2)34;2*1-21-20-30-27(31-21)26(35)18-23-6-7-24(19-25(23)22-8-10-28(2,3)11-9-22)29(4,5)33-14-12-32(13-15-33)16-17-34;1-7-32-14-16-33(17-15-32)29(5,6)24-9-8-23(18-26(34)27-30-20-21(2)31-27)25(19-24)22-10-12-28(3,4)13-11-22;1-21-20-30-27(31-21)26(33)18-23-6-7-24(19-25(23)22-8-10-28(2,3)11-9-22)29(4,5)35-17-14-32-12-15-34-16-13-32;/h7-9,18-19H,10-17H2,1-6H3,(H,30,31);2*6-8,19-20,34H,9-18H2,1-5H3,(H,30,31);8-10,19-20H,7,11-18H2,1-6H3,(H,30,31);6-8,19-20H,9-18H2,1-5H3,(H,30,31);1H.

What are the key properties of 2-[4-[2-(4-acetylpiperazin-1-yl)propan-2-yl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(4-ethylpiperazin-1-yl)propan-2-yl]phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;bis(2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-yl]phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone);2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-morpholin-4-ylethoxy)propan-2-yl]phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;hydrochloride?

2-[4-[2-(4-acetylpiperazin-1-yl)propan-2-yl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(4-ethylpiperazin-1-yl)propan-2-yl]phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;bis(2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-yl]phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone);2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-morpholin-4-ylethoxy)propan-2-yl]phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;hydrochloride has a molecular weight of 2412.83 g/mol, XLogP of 25.65, 38 rotatable bonds, 7 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[2-(4-acetylpiperazin-1-yl)propan-2-yl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(4-ethylpiperazin-1-yl)propan-2-yl]phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;bis(2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-yl]phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone);2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-morpholin-4-ylethoxy)propan-2-yl]phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;hydrochloride is sourced from PubChem (CID 160746601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).