2-[2-(cyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]-1-(5-methylfuran-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-[(2R)-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;hydrochloride

C121H156ClN11O13 — CID 158007242

About 2-[2-(cyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]-1-(5-methylfuran-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-[(2R)-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;hydrochloride

2-[2-(cyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]-1-(5-methylfuran-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-[(2R)-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;hydrochloride (PubChem CID 158007242) has the molecular formula C121H156ClN11O13 and a molecular weight of 2008.10 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-(morpholin-4-ylmethyl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[(2R)-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;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-(morpholin-4-ylmethyl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[(2R)-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;hydrochloride
• PubChem CID: 158007242
• Molecular Formula: C121H156ClN11O13
• Molecular Weight: 2008.10 g/mol
• Exact Mass: 2006.16
• 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-(morpholin-4-ylmethyl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[(2R)-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;hydrochloride
• SMILES: COC[C@H](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(CN3CCOCC3)cc2C2=CCCCC2)[nH]1.Cl
• InChI: InChI=1S/C27H37N3O.C25H31NO3.C24H32N2O3.C23H29N3O2.C22H26N2O4.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;1-16-14-25-23(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;/h8-10,17-18H,6-7,11-16H2,1-5H3,(H,28,29);5,7-10,17H,2-4,6,11-16,18H2,1H3;5-7,12,14,20,27H,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);1H/t;;20-;;;/m..1.../s1
• InChIKey: CUIPWELJJDRSIM-HRKAIKAZSA-N
• XLogP: 23.41
• TPSA: 328.38 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 19
• Rotatable Bonds: 33
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2008.10
LogP ≤ 5	23.41
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	19

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-(morpholin-4-ylmethyl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[(2R)-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;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-(morpholin-4-ylmethyl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[(2R)-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;hydrochloride (CID 158007242) is 2-[2-(cyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]-1-(5-methylfuran-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-[(2R)-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;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-(morpholin-4-ylmethyl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[(2R)-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;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-(morpholin-4-ylmethyl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[(2R)-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;hydrochloride is COC[C@H](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(CN3CCOCC3)cc2C2=CCCCC2)[nH]1.Cl.

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-(morpholin-4-ylmethyl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[(2R)-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;hydrochloride?

The InChIKey is CUIPWELJJDRSIM-HRKAIKAZSA-N. The full InChI is InChI=1S/C27H37N3O.C25H31NO3.C24H32N2O3.C23H29N3O2.C22H26N2O4.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;1-16-14-25-23(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;/h8-10,17-18H,6-7,11-16H2,1-5H3,(H,28,29);5,7-10,17H,2-4,6,11-16,18H2,1H3;5-7,12,14,20,27H,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);1H/t;;20-;;;/m..1.../s1.

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-(morpholin-4-ylmethyl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[(2R)-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;hydrochloride?

2-[2-(cyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]-1-(5-methylfuran-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-[(2R)-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;hydrochloride has a molecular weight of 2008.10 g/mol, XLogP of 23.41, 33 rotatable bonds, 7 hydrogen bond donors, and 19 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-(morpholin-4-ylmethyl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[(2R)-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;hydrochloride is sourced from PubChem (CID 158007242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).