1-benzyl-4-[5-[2-oxo-2-[2-phenyl-5-(trifluoromethyl)-1H-imidazol-4-yl]ethyl]-2-pyridinyl]piperazin-2-one;methane;2-[6-(4-methyl-4-phenylpiperidin-1-yl)-3-pyridinyl]-1-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;2-[6-(4-methyl-4-phenylpiperidin-1-yl)-3-pyridinyl]-1-[2-phenyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]ethanone;1-[1-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperidin-4-yl]-3H-indol-2-one

C117H105F12N15O9 — CID 159784508

About 1-benzyl-4-[5-[2-oxo-2-[2-phenyl-5-(trifluoromethyl)-1H-imidazol-4-yl]ethyl]-2-pyridinyl]piperazin-2-one;methane;2-[6-(4-methyl-4-phenylpiperidin-1-yl)-3-pyridinyl]-1-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;2-[6-(4-methyl-4-phenylpiperidin-1-yl)-3-pyridinyl]-1-[2-phenyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]ethanone;1-[1-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperidin-4-yl]-3H-indol-2-one

1-benzyl-4-[5-[2-oxo-2-[2-phenyl-5-(trifluoromethyl)-1H-imidazol-4-yl]ethyl]-2-pyridinyl]piperazin-2-one;methane;2-[6-(4-methyl-4-phenylpiperidin-1-yl)-3-pyridinyl]-1-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;2-[6-(4-methyl-4-phenylpiperidin-1-yl)-3-pyridinyl]-1-[2-phenyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]ethanone;1-[1-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperidin-4-yl]-3H-indol-2-one (PubChem CID 159784508) has the molecular formula C117H105F12N15O9 and a molecular weight of 2093.20 g/mol. Its IUPAC name is 1-benzyl-4-[5-[2-oxo-2-[2-phenyl-5-(trifluoromethyl)-1H-imidazol-4-yl]ethyl]-2-pyridinyl]piperazin-2-one;methane;2-[6-(4-methyl-4-phenylpiperidin-1-yl)-3-pyridinyl]-1-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;2-[6-(4-methyl-4-phenylpiperidin-1-yl)-3-pyridinyl]-1-[2-phenyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]ethanone;1-[1-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperidin-4-yl]-3H-indol-2-one.

Molecular Properties

• Compound Name: 1-benzyl-4-[5-[2-oxo-2-[2-phenyl-5-(trifluoromethyl)-1H-imidazol-4-yl]ethyl]-2-pyridinyl]piperazin-2-one;methane;2-[6-(4-methyl-4-phenylpiperidin-1-yl)-3-pyridinyl]-1-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;2-[6-(4-methyl-4-phenylpiperidin-1-yl)-3-pyridinyl]-1-[2-phenyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]ethanone;1-[1-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperidin-4-yl]-3H-indol-2-one
• PubChem CID: 159784508
• Molecular Formula: C117H105F12N15O9
• Molecular Weight: 2093.20 g/mol
• Exact Mass: 2091.80
• IUPAC Name: 1-benzyl-4-[5-[2-oxo-2-[2-phenyl-5-(trifluoromethyl)-1H-imidazol-4-yl]ethyl]-2-pyridinyl]piperazin-2-one;methane;2-[6-(4-methyl-4-phenylpiperidin-1-yl)-3-pyridinyl]-1-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;2-[6-(4-methyl-4-phenylpiperidin-1-yl)-3-pyridinyl]-1-[2-phenyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]ethanone;1-[1-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperidin-4-yl]-3H-indol-2-one
• SMILES: C.CC1(c2ccccc2)CCN(c2ccc(CC(=O)c3nc(-c4ccccc4)oc3C(F)(F)F)cn2)CC1.CC1(c2ccccc2)CCN(c2ccc(CC(=O)c3oc(-c4ccccc4)nc3C(F)(F)F)cn2)CC1.O=C(Cc1ccc(N2CCC(N3C(=O)Cc4ccccc43)CC2)nc1)c1oc(-c2ccccc2)nc1C(F)(F)F.O=C(Cc1ccc(N2CCN(Cc3ccccc3)C(=O)C2)nc1)c1nc(-c2ccccc2)[nH]c1C(F)(F)F
• InChI: InChI=1S/C30H25F3N4O3.2C29H26F3N3O2.C28H24F3N5O2.CH4/c31-30(32,33)28-27(40-29(35-28)20-6-2-1-3-7-20)24(38)16-19-10-11-25(34-18-19)36-14-12-22(13-15-36)37-23-9-5-4-8-21(23)17-26(37)39;1-28(22-10-6-3-7-11-22)14-16-35(17-15-28)24-13-12-20(19-33-24)18-23(36)25-26(29(30,31)32)34-27(37-25)21-8-4-2-5-9-21;1-28(22-10-6-3-7-11-22)14-16-35(17-15-28)24-13-12-20(19-33-24)18-23(36)25-26(29(30,31)32)37-27(34-25)21-8-4-2-5-9-21;29-28(30,31)26-25(33-27(34-26)21-9-5-2-6-10-21)22(37)15-20-11-12-23(32-16-20)35-13-14-36(24(38)18-35)17-19-7-3-1-4-8-19;/h1-11,18,22H,12-17H2;2*2-13,19H,14-18H2,1H3;1-12,16H,13-15,17-18H2,(H,33,34);1H4
• InChIKey: NHTZVLQEBYXNAG-UHFFFAOYSA-N
• XLogP: 24.62
• TPSA: 280.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 21
• Rotatable Bonds: 25
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2093.20
LogP ≤ 5	24.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[5-[2-oxo-2-[2-phenyl-5-(trifluoromethyl)-1H-imidazol-4-yl]ethyl]-2-pyridinyl]piperazin-2-one;methane;2-[6-(4-methyl-4-phenylpiperidin-1-yl)-3-pyridinyl]-1-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;2-[6-(4-methyl-4-phenylpiperidin-1-yl)-3-pyridinyl]-1-[2-phenyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]ethanone;1-[1-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperidin-4-yl]-3H-indol-2-one?

The IUPAC name of 1-benzyl-4-[5-[2-oxo-2-[2-phenyl-5-(trifluoromethyl)-1H-imidazol-4-yl]ethyl]-2-pyridinyl]piperazin-2-one;methane;2-[6-(4-methyl-4-phenylpiperidin-1-yl)-3-pyridinyl]-1-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;2-[6-(4-methyl-4-phenylpiperidin-1-yl)-3-pyridinyl]-1-[2-phenyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]ethanone;1-[1-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperidin-4-yl]-3H-indol-2-one (CID 159784508) is 1-benzyl-4-[5-[2-oxo-2-[2-phenyl-5-(trifluoromethyl)-1H-imidazol-4-yl]ethyl]-2-pyridinyl]piperazin-2-one;methane;2-[6-(4-methyl-4-phenylpiperidin-1-yl)-3-pyridinyl]-1-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;2-[6-(4-methyl-4-phenylpiperidin-1-yl)-3-pyridinyl]-1-[2-phenyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]ethanone;1-[1-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperidin-4-yl]-3H-indol-2-one.

What is the SMILES notation for 1-benzyl-4-[5-[2-oxo-2-[2-phenyl-5-(trifluoromethyl)-1H-imidazol-4-yl]ethyl]-2-pyridinyl]piperazin-2-one;methane;2-[6-(4-methyl-4-phenylpiperidin-1-yl)-3-pyridinyl]-1-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;2-[6-(4-methyl-4-phenylpiperidin-1-yl)-3-pyridinyl]-1-[2-phenyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]ethanone;1-[1-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperidin-4-yl]-3H-indol-2-one?

The canonical SMILES for 1-benzyl-4-[5-[2-oxo-2-[2-phenyl-5-(trifluoromethyl)-1H-imidazol-4-yl]ethyl]-2-pyridinyl]piperazin-2-one;methane;2-[6-(4-methyl-4-phenylpiperidin-1-yl)-3-pyridinyl]-1-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;2-[6-(4-methyl-4-phenylpiperidin-1-yl)-3-pyridinyl]-1-[2-phenyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]ethanone;1-[1-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperidin-4-yl]-3H-indol-2-one is C.CC1(c2ccccc2)CCN(c2ccc(CC(=O)c3nc(-c4ccccc4)oc3C(F)(F)F)cn2)CC1.CC1(c2ccccc2)CCN(c2ccc(CC(=O)c3oc(-c4ccccc4)nc3C(F)(F)F)cn2)CC1.O=C(Cc1ccc(N2CCC(N3C(=O)Cc4ccccc43)CC2)nc1)c1oc(-c2ccccc2)nc1C(F)(F)F.O=C(Cc1ccc(N2CCN(Cc3ccccc3)C(=O)C2)nc1)c1nc(-c2ccccc2)[nH]c1C(F)(F)F.

What is the InChIKey of 1-benzyl-4-[5-[2-oxo-2-[2-phenyl-5-(trifluoromethyl)-1H-imidazol-4-yl]ethyl]-2-pyridinyl]piperazin-2-one;methane;2-[6-(4-methyl-4-phenylpiperidin-1-yl)-3-pyridinyl]-1-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;2-[6-(4-methyl-4-phenylpiperidin-1-yl)-3-pyridinyl]-1-[2-phenyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]ethanone;1-[1-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperidin-4-yl]-3H-indol-2-one?

The InChIKey is NHTZVLQEBYXNAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25F3N4O3.2C29H26F3N3O2.C28H24F3N5O2.CH4/c31-30(32,33)28-27(40-29(35-28)20-6-2-1-3-7-20)24(38)16-19-10-11-25(34-18-19)36-14-12-22(13-15-36)37-23-9-5-4-8-21(23)17-26(37)39;1-28(22-10-6-3-7-11-22)14-16-35(17-15-28)24-13-12-20(19-33-24)18-23(36)25-26(29(30,31)32)34-27(37-25)21-8-4-2-5-9-21;1-28(22-10-6-3-7-11-22)14-16-35(17-15-28)24-13-12-20(19-33-24)18-23(36)25-26(29(30,31)32)37-27(34-25)21-8-4-2-5-9-21;29-28(30,31)26-25(33-27(34-26)21-9-5-2-6-10-21)22(37)15-20-11-12-23(32-16-20)35-13-14-36(24(38)18-35)17-19-7-3-1-4-8-19;/h1-11,18,22H,12-17H2;2*2-13,19H,14-18H2,1H3;1-12,16H,13-15,17-18H2,(H,33,34);1H4.

What are the key properties of 1-benzyl-4-[5-[2-oxo-2-[2-phenyl-5-(trifluoromethyl)-1H-imidazol-4-yl]ethyl]-2-pyridinyl]piperazin-2-one;methane;2-[6-(4-methyl-4-phenylpiperidin-1-yl)-3-pyridinyl]-1-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;2-[6-(4-methyl-4-phenylpiperidin-1-yl)-3-pyridinyl]-1-[2-phenyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]ethanone;1-[1-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperidin-4-yl]-3H-indol-2-one?

1-benzyl-4-[5-[2-oxo-2-[2-phenyl-5-(trifluoromethyl)-1H-imidazol-4-yl]ethyl]-2-pyridinyl]piperazin-2-one;methane;2-[6-(4-methyl-4-phenylpiperidin-1-yl)-3-pyridinyl]-1-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;2-[6-(4-methyl-4-phenylpiperidin-1-yl)-3-pyridinyl]-1-[2-phenyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]ethanone;1-[1-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperidin-4-yl]-3H-indol-2-one has a molecular weight of 2093.20 g/mol, XLogP of 24.62, 25 rotatable bonds, 1 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 1-benzyl-4-[5-[2-oxo-2-[2-phenyl-5-(trifluoromethyl)-1H-imidazol-4-yl]ethyl]-2-pyridinyl]piperazin-2-one;methane;2-[6-(4-methyl-4-phenylpiperidin-1-yl)-3-pyridinyl]-1-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;2-[6-(4-methyl-4-phenylpiperidin-1-yl)-3-pyridinyl]-1-[2-phenyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]ethanone;1-[1-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperidin-4-yl]-3H-indol-2-one is sourced from PubChem (CID 159784508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).