2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-hydroxyethylamino)propan-2-yl]phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-[4-(2-methoxyethyl)piperazin-1-yl]propan-2-yl]phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;5-[2-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-methyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-ylamino]pentan-2-one;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-pyrrolidin-1-ylethoxy)propan-2-yl]phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;ethyl 2-[4-[2-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-methyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-yl]piperazin-1-yl]acetate

C143H203N17O11 — CID 157291855

About 2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-hydroxyethylamino)propan-2-yl]phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-[4-(2-methoxyethyl)piperazin-1-yl]propan-2-yl]phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;5-[2-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-methyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-ylamino]pentan-2-one;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-pyrrolidin-1-ylethoxy)propan-2-yl]phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;ethyl 2-[4-[2-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-methyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-yl]piperazin-1-yl]acetate

2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-hydroxyethylamino)propan-2-yl]phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-[4-(2-methoxyethyl)piperazin-1-yl]propan-2-yl]phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;5-[2-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-methyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-ylamino]pentan-2-one;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-pyrrolidin-1-ylethoxy)propan-2-yl]phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;ethyl 2-[4-[2-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-methyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-yl]piperazin-1-yl]acetate (PubChem CID 157291855) has the molecular formula C143H203N17O11 and a molecular weight of 2336.30 g/mol. Its IUPAC name is 2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-hydroxyethylamino)propan-2-yl]phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-[4-(2-methoxyethyl)piperazin-1-yl]propan-2-yl]phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;5-[2-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-methyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-ylamino]pentan-2-one;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-pyrrolidin-1-ylethoxy)propan-2-yl]phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;ethyl 2-[4-[2-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-methyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-yl]piperazin-1-yl]acetate.

Molecular Properties

• Compound Name: 2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-hydroxyethylamino)propan-2-yl]phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-[4-(2-methoxyethyl)piperazin-1-yl]propan-2-yl]phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;5-[2-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-methyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-ylamino]pentan-2-one;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-pyrrolidin-1-ylethoxy)propan-2-yl]phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;ethyl 2-[4-[2-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-methyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-yl]piperazin-1-yl]acetate
• PubChem CID: 157291855
• Molecular Formula: C143H203N17O11
• Molecular Weight: 2336.30 g/mol
• Exact Mass: 2334.58
• IUPAC Name: 2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-hydroxyethylamino)propan-2-yl]phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-[4-(2-methoxyethyl)piperazin-1-yl]propan-2-yl]phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;5-[2-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-methyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-ylamino]pentan-2-one;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-pyrrolidin-1-ylethoxy)propan-2-yl]phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;ethyl 2-[4-[2-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-methyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-yl]piperazin-1-yl]acetate
• SMILES: CC(=O)CCCNC(C)(C)c1ccc(CC(=O)c2ncc(C)[nH]2)c(C2=CCC(C)(C)CC2)c1.CCOC(=O)CN1CCN(C(C)(C)c2ccc(CC(=O)c3ncc(C)[nH]3)c(C3=CCC(C)(C)CC3)c2)CC1.COCCN1CCN(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)NCCO)cc2C2=CCC(C)(C)CC2)[nH]1.Cc1cnc(C(=O)Cc2ccc(C(C)(C)OCCN3CCCC3)cc2C2=CCC(C)(C)CC2)[nH]1
• InChI: InChI=1S/C31H44N4O3.C30H44N4O2.C29H41N3O2.C28H39N3O2.C25H35N3O2/c1-7-38-28(37)21-34-14-16-35(17-15-34)31(5,6)25-9-8-24(18-27(36)29-32-20-22(2)33-29)26(19-25)23-10-12-30(3,4)13-11-23;1-22-21-31-28(32-22)27(35)19-24-7-8-25(20-26(24)23-9-11-29(2,3)12-10-23)30(4,5)34-15-13-33(14-16-34)17-18-36-6;1-21-20-30-27(31-21)26(33)18-23-8-9-24(19-25(23)22-10-12-28(2,3)13-11-22)29(4,5)34-17-16-32-14-6-7-15-32;1-19-18-29-26(31-19)25(33)16-22-9-10-23(28(5,6)30-15-7-8-20(2)32)17-24(22)21-11-13-27(3,4)14-12-21;1-17-16-26-23(28-17)22(30)14-19-6-7-20(25(4,5)27-12-13-29)15-21(19)18-8-10-24(2,3)11-9-18/h8-10,19-20H,7,11-18,21H2,1-6H3,(H,32,33);7-9,20-21H,10-19H2,1-6H3,(H,31,32);8-10,19-20H,6-7,11-18H2,1-5H3,(H,30,31);9-11,17-18,30H,7-8,12-16H2,1-6H3,(H,29,31);6-8,15-16,27,29H,9-14H2,1-5H3,(H,26,28)
• InChIKey: BAXBZFKZEQKOFC-UHFFFAOYSA-N
• XLogP: 26.96
• TPSA: 351.07 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 23
• Rotatable Bonds: 45
• Heavy Atoms: 171
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2336.30
LogP ≤ 5	26.96
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	23

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-hydroxyethylamino)propan-2-yl]phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-[4-(2-methoxyethyl)piperazin-1-yl]propan-2-yl]phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;5-[2-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-methyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-ylamino]pentan-2-one;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-pyrrolidin-1-ylethoxy)propan-2-yl]phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;ethyl 2-[4-[2-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-methyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-yl]piperazin-1-yl]acetate?

The IUPAC name of 2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-hydroxyethylamino)propan-2-yl]phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-[4-(2-methoxyethyl)piperazin-1-yl]propan-2-yl]phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;5-[2-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-methyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-ylamino]pentan-2-one;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-pyrrolidin-1-ylethoxy)propan-2-yl]phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;ethyl 2-[4-[2-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-methyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-yl]piperazin-1-yl]acetate (CID 157291855) is 2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-hydroxyethylamino)propan-2-yl]phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-[4-(2-methoxyethyl)piperazin-1-yl]propan-2-yl]phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;5-[2-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-methyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-ylamino]pentan-2-one;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-pyrrolidin-1-ylethoxy)propan-2-yl]phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;ethyl 2-[4-[2-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-methyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-yl]piperazin-1-yl]acetate.

What is the SMILES notation for 2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-hydroxyethylamino)propan-2-yl]phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-[4-(2-methoxyethyl)piperazin-1-yl]propan-2-yl]phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;5-[2-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-methyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-ylamino]pentan-2-one;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-pyrrolidin-1-ylethoxy)propan-2-yl]phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;ethyl 2-[4-[2-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-methyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-yl]piperazin-1-yl]acetate?

The canonical SMILES for 2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-hydroxyethylamino)propan-2-yl]phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-[4-(2-methoxyethyl)piperazin-1-yl]propan-2-yl]phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;5-[2-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-methyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-ylamino]pentan-2-one;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-pyrrolidin-1-ylethoxy)propan-2-yl]phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;ethyl 2-[4-[2-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-methyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-yl]piperazin-1-yl]acetate is CC(=O)CCCNC(C)(C)c1ccc(CC(=O)c2ncc(C)[nH]2)c(C2=CCC(C)(C)CC2)c1.CCOC(=O)CN1CCN(C(C)(C)c2ccc(CC(=O)c3ncc(C)[nH]3)c(C3=CCC(C)(C)CC3)c2)CC1.COCCN1CCN(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)NCCO)cc2C2=CCC(C)(C)CC2)[nH]1.Cc1cnc(C(=O)Cc2ccc(C(C)(C)OCCN3CCCC3)cc2C2=CCC(C)(C)CC2)[nH]1.

What is the InChIKey of 2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-hydroxyethylamino)propan-2-yl]phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-[4-(2-methoxyethyl)piperazin-1-yl]propan-2-yl]phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;5-[2-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-methyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-ylamino]pentan-2-one;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-pyrrolidin-1-ylethoxy)propan-2-yl]phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;ethyl 2-[4-[2-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-methyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-yl]piperazin-1-yl]acetate?

The InChIKey is BAXBZFKZEQKOFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H44N4O3.C30H44N4O2.C29H41N3O2.C28H39N3O2.C25H35N3O2/c1-7-38-28(37)21-34-14-16-35(17-15-34)31(5,6)25-9-8-24(18-27(36)29-32-20-22(2)33-29)26(19-25)23-10-12-30(3,4)13-11-23;1-22-21-31-28(32-22)27(35)19-24-7-8-25(20-26(24)23-9-11-29(2,3)12-10-23)30(4,5)34-15-13-33(14-16-34)17-18-36-6;1-21-20-30-27(31-21)26(33)18-23-8-9-24(19-25(23)22-10-12-28(2,3)13-11-22)29(4,5)34-17-16-32-14-6-7-15-32;1-19-18-29-26(31-19)25(33)16-22-9-10-23(28(5,6)30-15-7-8-20(2)32)17-24(22)21-11-13-27(3,4)14-12-21;1-17-16-26-23(28-17)22(30)14-19-6-7-20(25(4,5)27-12-13-29)15-21(19)18-8-10-24(2,3)11-9-18/h8-10,19-20H,7,11-18,21H2,1-6H3,(H,32,33);7-9,20-21H,10-19H2,1-6H3,(H,31,32);8-10,19-20H,6-7,11-18H2,1-5H3,(H,30,31);9-11,17-18,30H,7-8,12-16H2,1-6H3,(H,29,31);6-8,15-16,27,29H,9-14H2,1-5H3,(H,26,28).

What are the key properties of 2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-hydroxyethylamino)propan-2-yl]phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-[4-(2-methoxyethyl)piperazin-1-yl]propan-2-yl]phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;5-[2-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-methyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-ylamino]pentan-2-one;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-pyrrolidin-1-ylethoxy)propan-2-yl]phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;ethyl 2-[4-[2-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-methyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-yl]piperazin-1-yl]acetate?

2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-hydroxyethylamino)propan-2-yl]phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-[4-(2-methoxyethyl)piperazin-1-yl]propan-2-yl]phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;5-[2-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-methyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-ylamino]pentan-2-one;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-pyrrolidin-1-ylethoxy)propan-2-yl]phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;ethyl 2-[4-[2-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-methyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-yl]piperazin-1-yl]acetate has a molecular weight of 2336.30 g/mol, XLogP of 26.96, 45 rotatable bonds, 8 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-hydroxyethylamino)propan-2-yl]phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-[4-(2-methoxyethyl)piperazin-1-yl]propan-2-yl]phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;5-[2-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-methyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-ylamino]pentan-2-one;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-pyrrolidin-1-ylethoxy)propan-2-yl]phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;ethyl 2-[4-[2-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-methyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-yl]piperazin-1-yl]acetate is sourced from PubChem (CID 157291855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).