2-[2-(cyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]-1-(5-methylfuran-2-yl)ethanone;2-[2-(cyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(cyclohexen-1-yl)-4-(morpholin-4-ylmethyl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-hydroxy-3-methoxypropyl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-methyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]-2-hydroxyacetic acid;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-pyrrolidin-1-ylpropan-2-yl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;bis(2,2,2-trifluoroacetaldehyde);hydrochloride

C149H189ClF6N14O17 — CID 161287748

About 2-[2-(cyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]-1-(5-methylfuran-2-yl)ethanone;2-[2-(cyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(cyclohexen-1-yl)-4-(morpholin-4-ylmethyl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-hydroxy-3-methoxypropyl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-methyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]-2-hydroxyacetic acid;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-pyrrolidin-1-ylpropan-2-yl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;bis(2,2,2-trifluoroacetaldehyde);hydrochloride

2-[2-(cyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]-1-(5-methylfuran-2-yl)ethanone;2-[2-(cyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(cyclohexen-1-yl)-4-(morpholin-4-ylmethyl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-hydroxy-3-methoxypropyl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-methyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]-2-hydroxyacetic acid;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-pyrrolidin-1-ylpropan-2-yl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;bis(2,2,2-trifluoroacetaldehyde);hydrochloride (PubChem CID 161287748) has the molecular formula C149H189ClF6N14O17 and a molecular weight of 2597.67 g/mol. Its IUPAC name is 2-[2-(cyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]-1-(5-methylfuran-2-yl)ethanone;2-[2-(cyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(cyclohexen-1-yl)-4-(morpholin-4-ylmethyl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-hydroxy-3-methoxypropyl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-methyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]-2-hydroxyacetic acid;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-pyrrolidin-1-ylpropan-2-yl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;bis(2,2,2-trifluoroacetaldehyde);hydrochloride.

Molecular Properties

• Compound Name: 2-[2-(cyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]-1-(5-methylfuran-2-yl)ethanone;2-[2-(cyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(cyclohexen-1-yl)-4-(morpholin-4-ylmethyl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-hydroxy-3-methoxypropyl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-methyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]-2-hydroxyacetic acid;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-pyrrolidin-1-ylpropan-2-yl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;bis(2,2,2-trifluoroacetaldehyde);hydrochloride
• PubChem CID: 161287748
• Molecular Formula: C149H189ClF6N14O17
• Molecular Weight: 2597.67 g/mol
• Exact Mass: 2595.39
• IUPAC Name: 2-[2-(cyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]-1-(5-methylfuran-2-yl)ethanone;2-[2-(cyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(cyclohexen-1-yl)-4-(morpholin-4-ylmethyl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-hydroxy-3-methoxypropyl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-methyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]-2-hydroxyacetic acid;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-pyrrolidin-1-ylpropan-2-yl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;bis(2,2,2-trifluoroacetaldehyde);hydrochloride
• SMILES: COCC(O)Cc1ccc(CC(=O)c2ncc(C)[nH]2)c(C2=CCC(C)(C)CC2)c1.Cc1ccc(C(=O)Cc2ccc(CCN3CCOCC3)cc2C2=CCCCC2)o1.Cc1cnc(C(=O)Cc2ccc(C(C)(C)N3CCCC3)cc2C2=CCC(C)(C)CC2)[nH]1.Cc1cnc(C(=O)Cc2ccc(C(O)C(=O)O)cc2C2=CCC(C)(C)CC2)[nH]1.Cc1cnc(C(=O)Cc2ccc(CCN3CCOCC3)cc2C2=CCCCC2)[nH]1.Cc1cnc(C(=O)Cc2ccc(CN3CCOCC3)cc2C2=CCCCC2)[nH]1.Cl.O=CC(F)(F)F.O=CC(F)(F)F
• InChI: InChI=1S/C27H37N3O.C25H31NO3.C24H31N3O2.C24H32N2O3.C23H29N3O2.C22H26N2O4.2C2HF3O.ClH/c1-19-18-28-25(29-19)24(31)16-21-8-9-22(27(4,5)30-14-6-7-15-30)17-23(21)20-10-12-26(2,3)13-11-20;1-19-7-10-25(29-19)24(27)18-22-9-8-20(11-12-26-13-15-28-16-14-26)17-23(22)21-5-3-2-4-6-21;1-18-17-25-24(26-18)23(28)16-21-8-7-19(9-10-27-11-13-29-14-12-27)15-22(21)20-5-3-2-4-6-20;1-16-14-25-23(26-16)22(28)13-19-6-5-17(11-20(27)15-29-4)12-21(19)18-7-9-24(2,3)10-8-18;1-17-15-24-23(25-17)22(27)14-20-8-7-18(16-26-9-11-28-12-10-26)13-21(20)19-5-3-2-4-6-19;1-13-12-23-20(24-13)18(25)11-15-4-5-16(19(26)21(27)28)10-17(15)14-6-8-22(2,3)9-7-14;2*3-2(4,5)1-6;/h8-10,17-18H,6-7,11-16H2,1-5H3,(H,28,29);5,7-10,17H,2-4,6,11-16,18H2,1H3;5,7-8,15,17H,2-4,6,9-14,16H2,1H3,(H,25,26);5-7,12,14,20,27H,8-11,13,15H2,1-4H3,(H,25,26);5,7-8,13,15H,2-4,6,9-12,14,16H2,1H3,(H,24,25);4-6,10,12,19,26H,7-9,11H2,1-3H3,(H,23,24)(H,27,28);2*1H;1H
• InChIKey: JLNZBYHYZKXVCI-UHFFFAOYSA-N
• XLogP: 28.88
• TPSA: 420.74 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 25
• Rotatable Bonds: 40
• Heavy Atoms: 187
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2597.67
LogP ≤ 5	28.88
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]-1-(5-methylfuran-2-yl)ethanone;2-[2-(cyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(cyclohexen-1-yl)-4-(morpholin-4-ylmethyl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-hydroxy-3-methoxypropyl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-methyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]-2-hydroxyacetic acid;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-pyrrolidin-1-ylpropan-2-yl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;bis(2,2,2-trifluoroacetaldehyde);hydrochloride?

The IUPAC name of 2-[2-(cyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]-1-(5-methylfuran-2-yl)ethanone;2-[2-(cyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(cyclohexen-1-yl)-4-(morpholin-4-ylmethyl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-hydroxy-3-methoxypropyl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-methyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]-2-hydroxyacetic acid;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-pyrrolidin-1-ylpropan-2-yl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;bis(2,2,2-trifluoroacetaldehyde);hydrochloride (CID 161287748) is 2-[2-(cyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]-1-(5-methylfuran-2-yl)ethanone;2-[2-(cyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(cyclohexen-1-yl)-4-(morpholin-4-ylmethyl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-hydroxy-3-methoxypropyl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-methyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]-2-hydroxyacetic acid;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-pyrrolidin-1-ylpropan-2-yl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;bis(2,2,2-trifluoroacetaldehyde);hydrochloride.

What is the SMILES notation for 2-[2-(cyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]-1-(5-methylfuran-2-yl)ethanone;2-[2-(cyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(cyclohexen-1-yl)-4-(morpholin-4-ylmethyl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-hydroxy-3-methoxypropyl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-methyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]-2-hydroxyacetic acid;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-pyrrolidin-1-ylpropan-2-yl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;bis(2,2,2-trifluoroacetaldehyde);hydrochloride?

The canonical SMILES for 2-[2-(cyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]-1-(5-methylfuran-2-yl)ethanone;2-[2-(cyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(cyclohexen-1-yl)-4-(morpholin-4-ylmethyl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-hydroxy-3-methoxypropyl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-methyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]-2-hydroxyacetic acid;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-pyrrolidin-1-ylpropan-2-yl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;bis(2,2,2-trifluoroacetaldehyde);hydrochloride is COCC(O)Cc1ccc(CC(=O)c2ncc(C)[nH]2)c(C2=CCC(C)(C)CC2)c1.Cc1ccc(C(=O)Cc2ccc(CCN3CCOCC3)cc2C2=CCCCC2)o1.Cc1cnc(C(=O)Cc2ccc(C(C)(C)N3CCCC3)cc2C2=CCC(C)(C)CC2)[nH]1.Cc1cnc(C(=O)Cc2ccc(C(O)C(=O)O)cc2C2=CCC(C)(C)CC2)[nH]1.Cc1cnc(C(=O)Cc2ccc(CCN3CCOCC3)cc2C2=CCCCC2)[nH]1.Cc1cnc(C(=O)Cc2ccc(CN3CCOCC3)cc2C2=CCCCC2)[nH]1.Cl.O=CC(F)(F)F.O=CC(F)(F)F.

What is the InChIKey of 2-[2-(cyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]-1-(5-methylfuran-2-yl)ethanone;2-[2-(cyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(cyclohexen-1-yl)-4-(morpholin-4-ylmethyl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-hydroxy-3-methoxypropyl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-methyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]-2-hydroxyacetic acid;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-pyrrolidin-1-ylpropan-2-yl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;bis(2,2,2-trifluoroacetaldehyde);hydrochloride?

The InChIKey is JLNZBYHYZKXVCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37N3O.C25H31NO3.C24H31N3O2.C24H32N2O3.C23H29N3O2.C22H26N2O4.2C2HF3O.ClH/c1-19-18-28-25(29-19)24(31)16-21-8-9-22(27(4,5)30-14-6-7-15-30)17-23(21)20-10-12-26(2,3)13-11-20;1-19-7-10-25(29-19)24(27)18-22-9-8-20(11-12-26-13-15-28-16-14-26)17-23(22)21-5-3-2-4-6-21;1-18-17-25-24(26-18)23(28)16-21-8-7-19(9-10-27-11-13-29-14-12-27)15-22(21)20-5-3-2-4-6-20;1-16-14-25-23(26-16)22(28)13-19-6-5-17(11-20(27)15-29-4)12-21(19)18-7-9-24(2,3)10-8-18;1-17-15-24-23(25-17)22(27)14-20-8-7-18(16-26-9-11-28-12-10-26)13-21(20)19-5-3-2-4-6-19;1-13-12-23-20(24-13)18(25)11-15-4-5-16(19(26)21(27)28)10-17(15)14-6-8-22(2,3)9-7-14;2*3-2(4,5)1-6;/h8-10,17-18H,6-7,11-16H2,1-5H3,(H,28,29);5,7-10,17H,2-4,6,11-16,18H2,1H3;5,7-8,15,17H,2-4,6,9-14,16H2,1H3,(H,25,26);5-7,12,14,20,27H,8-11,13,15H2,1-4H3,(H,25,26);5,7-8,13,15H,2-4,6,9-12,14,16H2,1H3,(H,24,25);4-6,10,12,19,26H,7-9,11H2,1-3H3,(H,23,24)(H,27,28);2*1H;1H.

What are the key properties of 2-[2-(cyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]-1-(5-methylfuran-2-yl)ethanone;2-[2-(cyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(cyclohexen-1-yl)-4-(morpholin-4-ylmethyl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-hydroxy-3-methoxypropyl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-methyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]-2-hydroxyacetic acid;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-pyrrolidin-1-ylpropan-2-yl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;bis(2,2,2-trifluoroacetaldehyde);hydrochloride?

2-[2-(cyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]-1-(5-methylfuran-2-yl)ethanone;2-[2-(cyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(cyclohexen-1-yl)-4-(morpholin-4-ylmethyl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-hydroxy-3-methoxypropyl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-methyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]-2-hydroxyacetic acid;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-pyrrolidin-1-ylpropan-2-yl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;bis(2,2,2-trifluoroacetaldehyde);hydrochloride has a molecular weight of 2597.67 g/mol, XLogP of 28.88, 40 rotatable bonds, 8 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(cyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]-1-(5-methylfuran-2-yl)ethanone;2-[2-(cyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(cyclohexen-1-yl)-4-(morpholin-4-ylmethyl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-hydroxy-3-methoxypropyl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-methyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]-2-hydroxyacetic acid;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-pyrrolidin-1-ylpropan-2-yl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;bis(2,2,2-trifluoroacetaldehyde);hydrochloride is sourced from PubChem (CID 161287748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).