2-[2-(1-benzothiophen-3-yl)ethyl]-7-benzyl-2-azabicyclo[2.2.2]oct-5-ene;2-[2-(1-benzothiophen-3-yl)ethyl]-7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-ene;bis(3-[2-(6-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole);3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-4-fluoro-1H-indole;3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-6-fluoro-1H-indole;3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-7-fluoro-1H-indole;5-fluoro-3-[2-(7-methyl-7-propyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;methane

C164H204F4N14S2 — CID 158875715

About 2-[2-(1-benzothiophen-3-yl)ethyl]-7-benzyl-2-azabicyclo[2.2.2]oct-5-ene;2-[2-(1-benzothiophen-3-yl)ethyl]-7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-ene;bis(3-[2-(6-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole);3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-4-fluoro-1H-indole;3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-6-fluoro-1H-indole;3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-7-fluoro-1H-indole;5-fluoro-3-[2-(7-methyl-7-propyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;methane

2-[2-(1-benzothiophen-3-yl)ethyl]-7-benzyl-2-azabicyclo[2.2.2]oct-5-ene;2-[2-(1-benzothiophen-3-yl)ethyl]-7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-ene;bis(3-[2-(6-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole);3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-4-fluoro-1H-indole;3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-6-fluoro-1H-indole;3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-7-fluoro-1H-indole;5-fluoro-3-[2-(7-methyl-7-propyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;methane (PubChem CID 158875715) has the molecular formula C164H204F4N14S2 and a molecular weight of 2511.66 g/mol. Its IUPAC name is 2-[2-(1-benzothiophen-3-yl)ethyl]-7-benzyl-2-azabicyclo[2.2.2]oct-5-ene;2-[2-(1-benzothiophen-3-yl)ethyl]-7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-ene;bis(3-[2-(6-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole);3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-4-fluoro-1H-indole;3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-6-fluoro-1H-indole;3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-7-fluoro-1H-indole;5-fluoro-3-[2-(7-methyl-7-propyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;methane.

Molecular Properties

• Compound Name: 2-[2-(1-benzothiophen-3-yl)ethyl]-7-benzyl-2-azabicyclo[2.2.2]oct-5-ene;2-[2-(1-benzothiophen-3-yl)ethyl]-7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-ene;bis(3-[2-(6-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole);3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-4-fluoro-1H-indole;3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-6-fluoro-1H-indole;3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-7-fluoro-1H-indole;5-fluoro-3-[2-(7-methyl-7-propyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;methane
• PubChem CID: 158875715
• Molecular Formula: C164H204F4N14S2
• Molecular Weight: 2511.66 g/mol
• Exact Mass: 2509.58
• IUPAC Name: 2-[2-(1-benzothiophen-3-yl)ethyl]-7-benzyl-2-azabicyclo[2.2.2]oct-5-ene;2-[2-(1-benzothiophen-3-yl)ethyl]-7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-ene;bis(3-[2-(6-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole);3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-4-fluoro-1H-indole;3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-6-fluoro-1H-indole;3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-7-fluoro-1H-indole;5-fluoro-3-[2-(7-methyl-7-propyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;methane
• SMILES: C.C1=CC2C(Cc3ccccc3)CC1CN2CCc1csc2ccccc12.CCC1(C)CC2C=CC1N(CCc1c[nH]c3c(F)cccc13)C2.CCC1(C)CC2C=CC1N(CCc1c[nH]c3cc(F)ccc13)C2.CCC1(C)CC2C=CC1N(CCc1c[nH]c3cccc(F)c13)C2.CCC1(C)CC2C=CC1N(CCc1csc3ccccc13)C2.CCC1=CC2CCC1N(CCc1c[nH]c3ccccc13)C2.CCC1=CC2CCC1N(CCc1c[nH]c3ccccc13)C2.CCCC1(C)CC2C=CC1N(CCc1c[nH]c3ccc(F)cc13)C2
• InChI: InChI=1S/C24H25NS.C21H27FN2.3C20H25FN2.C20H25NS.2C19H24N2.CH4/c1-2-6-18(7-3-1)14-21-15-19-10-11-23(21)25(16-19)13-12-20-17-26-24-9-5-4-8-22(20)24;1-3-9-21(2)12-15-4-7-20(21)24(14-15)10-8-16-13-23-19-6-5-17(22)11-18(16)19;1-3-20(2)11-14-4-7-19(20)23(13-14)9-8-15-12-22-18-10-16(21)5-6-17(15)18;1-3-20(2)11-14-7-8-18(20)23(13-14)10-9-15-12-22-17-6-4-5-16(21)19(15)17;1-3-20(2)11-14-7-8-18(20)23(13-14)10-9-15-12-22-19-16(15)5-4-6-17(19)21;1-3-20(2)12-15-8-9-19(20)21(13-15)11-10-16-14-22-18-7-5-4-6-17(16)18;2*1-2-15-11-14-7-8-19(15)21(13-14)10-9-16-12-20-18-6-4-3-5-17(16)18;/h1-11,17,19,21,23H,12-16H2;4-7,11,13,15,20,23H,3,8-10,12,14H2,1-2H3;4-7,10,12,14,19,22H,3,8-9,11,13H2,1-2H3;2*4-8,12,14,18,22H,3,9-11,13H2,1-2H3;4-9,14-15,19H,3,10-13H2,1-2H3;2*3-6,11-12,14,19-20H,2,7-10,13H2,1H3;1H4
• InChIKey: JCKDWVKGTDWIAE-UHFFFAOYSA-N
• XLogP: 38.10
• TPSA: 120.66 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 10
• Rotatable Bonds: 34
• Heavy Atoms: 184
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2511.66
LogP ≤ 5	38.10
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-benzothiophen-3-yl)ethyl]-7-benzyl-2-azabicyclo[2.2.2]oct-5-ene;2-[2-(1-benzothiophen-3-yl)ethyl]-7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-ene;bis(3-[2-(6-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole);3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-4-fluoro-1H-indole;3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-6-fluoro-1H-indole;3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-7-fluoro-1H-indole;5-fluoro-3-[2-(7-methyl-7-propyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;methane?

The IUPAC name of 2-[2-(1-benzothiophen-3-yl)ethyl]-7-benzyl-2-azabicyclo[2.2.2]oct-5-ene;2-[2-(1-benzothiophen-3-yl)ethyl]-7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-ene;bis(3-[2-(6-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole);3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-4-fluoro-1H-indole;3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-6-fluoro-1H-indole;3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-7-fluoro-1H-indole;5-fluoro-3-[2-(7-methyl-7-propyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;methane (CID 158875715) is 2-[2-(1-benzothiophen-3-yl)ethyl]-7-benzyl-2-azabicyclo[2.2.2]oct-5-ene;2-[2-(1-benzothiophen-3-yl)ethyl]-7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-ene;bis(3-[2-(6-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole);3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-4-fluoro-1H-indole;3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-6-fluoro-1H-indole;3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-7-fluoro-1H-indole;5-fluoro-3-[2-(7-methyl-7-propyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;methane.

What is the SMILES notation for 2-[2-(1-benzothiophen-3-yl)ethyl]-7-benzyl-2-azabicyclo[2.2.2]oct-5-ene;2-[2-(1-benzothiophen-3-yl)ethyl]-7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-ene;bis(3-[2-(6-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole);3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-4-fluoro-1H-indole;3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-6-fluoro-1H-indole;3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-7-fluoro-1H-indole;5-fluoro-3-[2-(7-methyl-7-propyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;methane?

The canonical SMILES for 2-[2-(1-benzothiophen-3-yl)ethyl]-7-benzyl-2-azabicyclo[2.2.2]oct-5-ene;2-[2-(1-benzothiophen-3-yl)ethyl]-7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-ene;bis(3-[2-(6-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole);3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-4-fluoro-1H-indole;3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-6-fluoro-1H-indole;3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-7-fluoro-1H-indole;5-fluoro-3-[2-(7-methyl-7-propyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;methane is C.C1=CC2C(Cc3ccccc3)CC1CN2CCc1csc2ccccc12.CCC1(C)CC2C=CC1N(CCc1c[nH]c3c(F)cccc13)C2.CCC1(C)CC2C=CC1N(CCc1c[nH]c3cc(F)ccc13)C2.CCC1(C)CC2C=CC1N(CCc1c[nH]c3cccc(F)c13)C2.CCC1(C)CC2C=CC1N(CCc1csc3ccccc13)C2.CCC1=CC2CCC1N(CCc1c[nH]c3ccccc13)C2.CCC1=CC2CCC1N(CCc1c[nH]c3ccccc13)C2.CCCC1(C)CC2C=CC1N(CCc1c[nH]c3ccc(F)cc13)C2.

What is the InChIKey of 2-[2-(1-benzothiophen-3-yl)ethyl]-7-benzyl-2-azabicyclo[2.2.2]oct-5-ene;2-[2-(1-benzothiophen-3-yl)ethyl]-7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-ene;bis(3-[2-(6-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole);3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-4-fluoro-1H-indole;3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-6-fluoro-1H-indole;3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-7-fluoro-1H-indole;5-fluoro-3-[2-(7-methyl-7-propyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;methane?

The InChIKey is JCKDWVKGTDWIAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NS.C21H27FN2.3C20H25FN2.C20H25NS.2C19H24N2.CH4/c1-2-6-18(7-3-1)14-21-15-19-10-11-23(21)25(16-19)13-12-20-17-26-24-9-5-4-8-22(20)24;1-3-9-21(2)12-15-4-7-20(21)24(14-15)10-8-16-13-23-19-6-5-17(22)11-18(16)19;1-3-20(2)11-14-4-7-19(20)23(13-14)9-8-15-12-22-18-10-16(21)5-6-17(15)18;1-3-20(2)11-14-7-8-18(20)23(13-14)10-9-15-12-22-17-6-4-5-16(21)19(15)17;1-3-20(2)11-14-7-8-18(20)23(13-14)10-9-15-12-22-19-16(15)5-4-6-17(19)21;1-3-20(2)12-15-8-9-19(20)21(13-15)11-10-16-14-22-18-7-5-4-6-17(16)18;2*1-2-15-11-14-7-8-19(15)21(13-14)10-9-16-12-20-18-6-4-3-5-17(16)18;/h1-11,17,19,21,23H,12-16H2;4-7,11,13,15,20,23H,3,8-10,12,14H2,1-2H3;4-7,10,12,14,19,22H,3,8-9,11,13H2,1-2H3;2*4-8,12,14,18,22H,3,9-11,13H2,1-2H3;4-9,14-15,19H,3,10-13H2,1-2H3;2*3-6,11-12,14,19-20H,2,7-10,13H2,1H3;1H4.

What are the key properties of 2-[2-(1-benzothiophen-3-yl)ethyl]-7-benzyl-2-azabicyclo[2.2.2]oct-5-ene;2-[2-(1-benzothiophen-3-yl)ethyl]-7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-ene;bis(3-[2-(6-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole);3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-4-fluoro-1H-indole;3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-6-fluoro-1H-indole;3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-7-fluoro-1H-indole;5-fluoro-3-[2-(7-methyl-7-propyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;methane?

2-[2-(1-benzothiophen-3-yl)ethyl]-7-benzyl-2-azabicyclo[2.2.2]oct-5-ene;2-[2-(1-benzothiophen-3-yl)ethyl]-7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-ene;bis(3-[2-(6-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole);3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-4-fluoro-1H-indole;3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-6-fluoro-1H-indole;3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-7-fluoro-1H-indole;5-fluoro-3-[2-(7-methyl-7-propyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;methane has a molecular weight of 2511.66 g/mol, XLogP of 38.10, 34 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(1-benzothiophen-3-yl)ethyl]-7-benzyl-2-azabicyclo[2.2.2]oct-5-ene;2-[2-(1-benzothiophen-3-yl)ethyl]-7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-ene;bis(3-[2-(6-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole);3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-4-fluoro-1H-indole;3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-6-fluoro-1H-indole;3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-7-fluoro-1H-indole;5-fluoro-3-[2-(7-methyl-7-propyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;methane is sourced from PubChem (CID 158875715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).