2-[2-(cyclohexen-1-yl)-4-[[(3R,5S)-3,5-dimethylpiperazin-1-yl]sulfonylmethyl]phenyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone;2-[2-(cyclohexen-1-yl)-4-(2-morpholin-4-ylsulfonylethyl)phenyl]-1-(5-ethynyl-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-(2-morpholin-4-ylethylamino)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

C135H180N18O12S2 — CID 158187386

About 2-[2-(cyclohexen-1-yl)-4-[[(3R,5S)-3,5-dimethylpiperazin-1-yl]sulfonylmethyl]phenyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone;2-[2-(cyclohexen-1-yl)-4-(2-morpholin-4-ylsulfonylethyl)phenyl]-1-(5-ethynyl-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-(2-morpholin-4-ylethylamino)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-(cyclohexen-1-yl)-4-[[(3R,5S)-3,5-dimethylpiperazin-1-yl]sulfonylmethyl]phenyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone;2-[2-(cyclohexen-1-yl)-4-(2-morpholin-4-ylsulfonylethyl)phenyl]-1-(5-ethynyl-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-(2-morpholin-4-ylethylamino)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 158187386) has the molecular formula C135H180N18O12S2 and a molecular weight of 2311.17 g/mol. Its IUPAC name is 2-[2-(cyclohexen-1-yl)-4-[[(3R,5S)-3,5-dimethylpiperazin-1-yl]sulfonylmethyl]phenyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone;2-[2-(cyclohexen-1-yl)-4-(2-morpholin-4-ylsulfonylethyl)phenyl]-1-(5-ethynyl-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-(2-morpholin-4-ylethylamino)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-(cyclohexen-1-yl)-4-[[(3R,5S)-3,5-dimethylpiperazin-1-yl]sulfonylmethyl]phenyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone;2-[2-(cyclohexen-1-yl)-4-(2-morpholin-4-ylsulfonylethyl)phenyl]-1-(5-ethynyl-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-(2-morpholin-4-ylethylamino)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: 158187386
• Molecular Formula: C135H180N18O12S2
• Molecular Weight: 2311.17 g/mol
• Exact Mass: 2309.35
• IUPAC Name: 2-[2-(cyclohexen-1-yl)-4-[[(3R,5S)-3,5-dimethylpiperazin-1-yl]sulfonylmethyl]phenyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone;2-[2-(cyclohexen-1-yl)-4-(2-morpholin-4-ylsulfonylethyl)phenyl]-1-(5-ethynyl-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-(2-morpholin-4-ylethylamino)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: C#Cc1cnc(C(=O)Cc2ccc(CCS(=O)(=O)N3CCOCC3)cc2C2=CCCCC2)[nH]1.C#Cc1cnc(C(=O)Cc2ccc(CS(=O)(=O)N3C[C@@H](C)N[C@@H](C)C3)cc2C2=CCCCC2)[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.Cc1cnc(C(=O)Cc2ccc(C(C)(C)NCCN3CCOCC3)cc2C2=CCC(C)(C)CC2)[nH]1
• InChI: InChI=1S/C29H42N4O2.C28H40N4O.C27H37N3O2.C26H32N4O3S.C25H29N3O4S/c1-21-20-30-27(32-21)26(34)18-23-6-7-24(19-25(23)22-8-10-28(2,3)11-9-22)29(4,5)31-12-13-33-14-16-35-17-15-33;1-20-19-29-26(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)16-21-6-7-22(27(4,5)30-12-14-32-15-13-30)17-23(21)20-8-10-26(2,3)11-9-20;1-4-23-14-27-26(29-23)25(31)13-22-11-10-20(12-24(22)21-8-6-5-7-9-21)17-34(32,33)30-15-18(2)28-19(3)16-30;1-2-22-18-26-25(27-22)24(29)17-21-9-8-19(16-23(21)20-6-4-3-5-7-20)10-15-33(30,31)28-11-13-32-14-12-28/h6-8,19-20,31H,9-18H2,1-5H3,(H,30,32);7-9,18-19H,10-17H2,1-6H3,(H,29,30);6-8,17-18H,9-16H2,1-5H3,(H,28,29);1,8,10-12,14,18-19,28H,5-7,9,13,15-17H2,2-3H3,(H,27,29);1,6,8-9,16,18H,3-5,7,10-15,17H2,(H,26,27)/t;;;18-,19+
• InChIKey: FZHRHWNXVIMYAS-CINZMZJLSA-N
• XLogP: 21.68
• TPSA: 368.22 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 23
• Rotatable Bonds: 36
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2311.17
LogP ≤ 5	21.68
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclohexen-1-yl)-4-[[(3R,5S)-3,5-dimethylpiperazin-1-yl]sulfonylmethyl]phenyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone;2-[2-(cyclohexen-1-yl)-4-(2-morpholin-4-ylsulfonylethyl)phenyl]-1-(5-ethynyl-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-(2-morpholin-4-ylethylamino)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-(cyclohexen-1-yl)-4-[[(3R,5S)-3,5-dimethylpiperazin-1-yl]sulfonylmethyl]phenyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone;2-[2-(cyclohexen-1-yl)-4-(2-morpholin-4-ylsulfonylethyl)phenyl]-1-(5-ethynyl-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-(2-morpholin-4-ylethylamino)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 158187386) is 2-[2-(cyclohexen-1-yl)-4-[[(3R,5S)-3,5-dimethylpiperazin-1-yl]sulfonylmethyl]phenyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone;2-[2-(cyclohexen-1-yl)-4-(2-morpholin-4-ylsulfonylethyl)phenyl]-1-(5-ethynyl-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-(2-morpholin-4-ylethylamino)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-(cyclohexen-1-yl)-4-[[(3R,5S)-3,5-dimethylpiperazin-1-yl]sulfonylmethyl]phenyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone;2-[2-(cyclohexen-1-yl)-4-(2-morpholin-4-ylsulfonylethyl)phenyl]-1-(5-ethynyl-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-(2-morpholin-4-ylethylamino)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-(cyclohexen-1-yl)-4-[[(3R,5S)-3,5-dimethylpiperazin-1-yl]sulfonylmethyl]phenyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone;2-[2-(cyclohexen-1-yl)-4-(2-morpholin-4-ylsulfonylethyl)phenyl]-1-(5-ethynyl-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-(2-morpholin-4-ylethylamino)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 C#Cc1cnc(C(=O)Cc2ccc(CCS(=O)(=O)N3CCOCC3)cc2C2=CCCCC2)[nH]1.C#Cc1cnc(C(=O)Cc2ccc(CS(=O)(=O)N3C[C@@H](C)N[C@@H](C)C3)cc2C2=CCCCC2)[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.Cc1cnc(C(=O)Cc2ccc(C(C)(C)NCCN3CCOCC3)cc2C2=CCC(C)(C)CC2)[nH]1.

What is the InChIKey of 2-[2-(cyclohexen-1-yl)-4-[[(3R,5S)-3,5-dimethylpiperazin-1-yl]sulfonylmethyl]phenyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone;2-[2-(cyclohexen-1-yl)-4-(2-morpholin-4-ylsulfonylethyl)phenyl]-1-(5-ethynyl-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-(2-morpholin-4-ylethylamino)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 FZHRHWNXVIMYAS-CINZMZJLSA-N. The full InChI is InChI=1S/C29H42N4O2.C28H40N4O.C27H37N3O2.C26H32N4O3S.C25H29N3O4S/c1-21-20-30-27(32-21)26(34)18-23-6-7-24(19-25(23)22-8-10-28(2,3)11-9-22)29(4,5)31-12-13-33-14-16-35-17-15-33;1-20-19-29-26(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)16-21-6-7-22(27(4,5)30-12-14-32-15-13-30)17-23(21)20-8-10-26(2,3)11-9-20;1-4-23-14-27-26(29-23)25(31)13-22-11-10-20(12-24(22)21-8-6-5-7-9-21)17-34(32,33)30-15-18(2)28-19(3)16-30;1-2-22-18-26-25(27-22)24(29)17-21-9-8-19(16-23(21)20-6-4-3-5-7-20)10-15-33(30,31)28-11-13-32-14-12-28/h6-8,19-20,31H,9-18H2,1-5H3,(H,30,32);7-9,18-19H,10-17H2,1-6H3,(H,29,30);6-8,17-18H,9-16H2,1-5H3,(H,28,29);1,8,10-12,14,18-19,28H,5-7,9,13,15-17H2,2-3H3,(H,27,29);1,6,8-9,16,18H,3-5,7,10-15,17H2,(H,26,27)/t;;;18-,19+;.

What are the key properties of 2-[2-(cyclohexen-1-yl)-4-[[(3R,5S)-3,5-dimethylpiperazin-1-yl]sulfonylmethyl]phenyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone;2-[2-(cyclohexen-1-yl)-4-(2-morpholin-4-ylsulfonylethyl)phenyl]-1-(5-ethynyl-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-(2-morpholin-4-ylethylamino)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-(cyclohexen-1-yl)-4-[[(3R,5S)-3,5-dimethylpiperazin-1-yl]sulfonylmethyl]phenyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone;2-[2-(cyclohexen-1-yl)-4-(2-morpholin-4-ylsulfonylethyl)phenyl]-1-(5-ethynyl-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-(2-morpholin-4-ylethylamino)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 2311.17 g/mol, XLogP of 21.68, 36 rotatable bonds, 7 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(cyclohexen-1-yl)-4-[[(3R,5S)-3,5-dimethylpiperazin-1-yl]sulfonylmethyl]phenyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone;2-[2-(cyclohexen-1-yl)-4-(2-morpholin-4-ylsulfonylethyl)phenyl]-1-(5-ethynyl-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-(2-morpholin-4-ylethylamino)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 158187386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).