3-benzylsulfanyl-5-[2-(4-fluorophenyl)ethyl]-4-[3-(1H-imidazol-5-yl)propyl]-1,2,4-triazole;5-fluoro-3-[[4-[3-(1H-imidazol-5-yl)propyl]-5-(3-methylphenyl)sulfanyl-1,2,4-triazol-3-yl]methyl]-1H-indole;6-fluoro-3-[[4-[3-(1-methylimidazol-4-yl)propyl]-5-pyridin-2-ylsulfanyl-1,2,4-triazol-3-yl]methyl]-1H-indole;5-fluoro-3-[[4-[3-(1-methylimidazol-4-yl)propyl]-5-[3-(trifluoromethyl)phenyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-1H-indole;3-[4-[3-(1H-imidazol-5-yl)propyl]-5-(4-methylphenyl)sulfanyl-1,2,4-triazol-3-yl]-1H-indole;3-[[4-[3-(1H-imidazol-5-yl)propyl]-5-(3-methylphenyl)sulfanyl-1,2,4-triazol-3-yl]methyl]-1H-indole

C142H137F7N36S6 — CID 163819976

About 3-benzylsulfanyl-5-[2-(4-fluorophenyl)ethyl]-4-[3-(1H-imidazol-5-yl)propyl]-1,2,4-triazole;5-fluoro-3-[[4-[3-(1H-imidazol-5-yl)propyl]-5-(3-methylphenyl)sulfanyl-1,2,4-triazol-3-yl]methyl]-1H-indole;6-fluoro-3-[[4-[3-(1-methylimidazol-4-yl)propyl]-5-pyridin-2-ylsulfanyl-1,2,4-triazol-3-yl]methyl]-1H-indole;5-fluoro-3-[[4-[3-(1-methylimidazol-4-yl)propyl]-5-[3-(trifluoromethyl)phenyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-1H-indole;3-[4-[3-(1H-imidazol-5-yl)propyl]-5-(4-methylphenyl)sulfanyl-1,2,4-triazol-3-yl]-1H-indole;3-[[4-[3-(1H-imidazol-5-yl)propyl]-5-(3-methylphenyl)sulfanyl-1,2,4-triazol-3-yl]methyl]-1H-indole

3-benzylsulfanyl-5-[2-(4-fluorophenyl)ethyl]-4-[3-(1H-imidazol-5-yl)propyl]-1,2,4-triazole;5-fluoro-3-[[4-[3-(1H-imidazol-5-yl)propyl]-5-(3-methylphenyl)sulfanyl-1,2,4-triazol-3-yl]methyl]-1H-indole;6-fluoro-3-[[4-[3-(1-methylimidazol-4-yl)propyl]-5-pyridin-2-ylsulfanyl-1,2,4-triazol-3-yl]methyl]-1H-indole;5-fluoro-3-[[4-[3-(1-methylimidazol-4-yl)propyl]-5-[3-(trifluoromethyl)phenyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-1H-indole;3-[4-[3-(1H-imidazol-5-yl)propyl]-5-(4-methylphenyl)sulfanyl-1,2,4-triazol-3-yl]-1H-indole;3-[[4-[3-(1H-imidazol-5-yl)propyl]-5-(3-methylphenyl)sulfanyl-1,2,4-triazol-3-yl]methyl]-1H-indole (PubChem CID 163819976) has the molecular formula C142H137F7N36S6 and a molecular weight of 2673.30 g/mol. Its IUPAC name is 3-benzylsulfanyl-5-[2-(4-fluorophenyl)ethyl]-4-[3-(1H-imidazol-5-yl)propyl]-1,2,4-triazole;5-fluoro-3-[[4-[3-(1H-imidazol-5-yl)propyl]-5-(3-methylphenyl)sulfanyl-1,2,4-triazol-3-yl]methyl]-1H-indole;6-fluoro-3-[[4-[3-(1-methylimidazol-4-yl)propyl]-5-pyridin-2-ylsulfanyl-1,2,4-triazol-3-yl]methyl]-1H-indole;5-fluoro-3-[[4-[3-(1-methylimidazol-4-yl)propyl]-5-[3-(trifluoromethyl)phenyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-1H-indole;3-[4-[3-(1H-imidazol-5-yl)propyl]-5-(4-methylphenyl)sulfanyl-1,2,4-triazol-3-yl]-1H-indole;3-[[4-[3-(1H-imidazol-5-yl)propyl]-5-(3-methylphenyl)sulfanyl-1,2,4-triazol-3-yl]methyl]-1H-indole.

Molecular Properties

• Compound Name: 3-benzylsulfanyl-5-[2-(4-fluorophenyl)ethyl]-4-[3-(1H-imidazol-5-yl)propyl]-1,2,4-triazole;5-fluoro-3-[[4-[3-(1H-imidazol-5-yl)propyl]-5-(3-methylphenyl)sulfanyl-1,2,4-triazol-3-yl]methyl]-1H-indole;6-fluoro-3-[[4-[3-(1-methylimidazol-4-yl)propyl]-5-pyridin-2-ylsulfanyl-1,2,4-triazol-3-yl]methyl]-1H-indole;5-fluoro-3-[[4-[3-(1-methylimidazol-4-yl)propyl]-5-[3-(trifluoromethyl)phenyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-1H-indole;3-[4-[3-(1H-imidazol-5-yl)propyl]-5-(4-methylphenyl)sulfanyl-1,2,4-triazol-3-yl]-1H-indole;3-[[4-[3-(1H-imidazol-5-yl)propyl]-5-(3-methylphenyl)sulfanyl-1,2,4-triazol-3-yl]methyl]-1H-indole
• PubChem CID: 163819976
• Molecular Formula: C142H137F7N36S6
• Molecular Weight: 2673.30 g/mol
• Exact Mass: 2671.00
• IUPAC Name: 3-benzylsulfanyl-5-[2-(4-fluorophenyl)ethyl]-4-[3-(1H-imidazol-5-yl)propyl]-1,2,4-triazole;5-fluoro-3-[[4-[3-(1H-imidazol-5-yl)propyl]-5-(3-methylphenyl)sulfanyl-1,2,4-triazol-3-yl]methyl]-1H-indole;6-fluoro-3-[[4-[3-(1-methylimidazol-4-yl)propyl]-5-pyridin-2-ylsulfanyl-1,2,4-triazol-3-yl]methyl]-1H-indole;5-fluoro-3-[[4-[3-(1-methylimidazol-4-yl)propyl]-5-[3-(trifluoromethyl)phenyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-1H-indole;3-[4-[3-(1H-imidazol-5-yl)propyl]-5-(4-methylphenyl)sulfanyl-1,2,4-triazol-3-yl]-1H-indole;3-[[4-[3-(1H-imidazol-5-yl)propyl]-5-(3-methylphenyl)sulfanyl-1,2,4-triazol-3-yl]methyl]-1H-indole
• SMILES: Cc1ccc(Sc2nnc(-c3c[nH]c4ccccc34)n2CCCc2cnc[nH]2)cc1.Cc1cccc(Sc2nnc(Cc3c[nH]c4ccc(F)cc34)n2CCCc2cnc[nH]2)c1.Cc1cccc(Sc2nnc(Cc3c[nH]c4ccccc34)n2CCCc2cnc[nH]2)c1.Cn1cnc(CCCn2c(Cc3c[nH]c4cc(F)ccc34)nnc2Sc2ccccn2)c1.Cn1cnc(CCCn2c(Cc3c[nH]c4ccc(F)cc34)nnc2Sc2cccc(C(F)(F)F)c2)c1.Fc1ccc(CCc2nnc(SCc3ccccc3)n2CCCc2cnc[nH]2)cc1
• InChI: InChI=1S/C25H22F4N6S.C24H23FN6S.C24H24N6S.C23H22FN7S.C23H24FN5S.C23H22N6S/c1-34-14-19(31-15-34)5-3-9-35-23(10-16-13-30-22-8-7-18(26)12-21(16)22)32-33-24(35)36-20-6-2-4-17(11-20)25(27,28)29;1-16-4-2-6-20(10-16)32-24-30-29-23(31(24)9-3-5-19-14-26-15-28-19)11-17-13-27-22-8-7-18(25)12-21(17)22;1-17-6-4-8-20(12-17)31-24-29-28-23(30(24)11-5-7-19-15-25-16-27-19)13-18-14-26-22-10-3-2-9-21(18)22;1-30-14-18(27-15-30)5-4-10-31-21(28-29-23(31)32-22-6-2-3-9-25-22)11-16-13-26-20-12-17(24)7-8-19(16)20;24-20-11-8-18(9-12-20)10-13-22-27-28-23(30-16-19-5-2-1-3-6-19)29(22)14-4-7-21-15-25-17-26-21;1-16-8-10-18(11-9-16)30-23-28-27-22(20-14-25-21-7-3-2-6-19(20)21)29(23)12-4-5-17-13-24-15-26-17/h2,4,6-8,11-15,30H,3,5,9-10H2,1H3;2,4,6-8,10,12-15,27H,3,5,9,11H2,1H3,(H,26,28);2-4,6,8-10,12,14-16,26H,5,7,11,13H2,1H3,(H,25,27);2-3,6-9,12-15,26H,4-5,10-11H2,1H3;1-3,5-6,8-9,11-12,15,17H,4,7,10,13-14,16H2,(H,25,26);2-3,6-11,13-15,25H,4-5,12H2,1H3,(H,24,26)
• InChIKey: NUNWAJKDKILGHX-UHFFFAOYSA-N
• XLogP: 30.99
• TPSA: 426.46 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 33
• Rotatable Bonds: 49
• Heavy Atoms: 191
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2673.30
LogP ≤ 5	30.99
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	33

Frequently Asked Questions

What is the IUPAC name of 3-benzylsulfanyl-5-[2-(4-fluorophenyl)ethyl]-4-[3-(1H-imidazol-5-yl)propyl]-1,2,4-triazole;5-fluoro-3-[[4-[3-(1H-imidazol-5-yl)propyl]-5-(3-methylphenyl)sulfanyl-1,2,4-triazol-3-yl]methyl]-1H-indole;6-fluoro-3-[[4-[3-(1-methylimidazol-4-yl)propyl]-5-pyridin-2-ylsulfanyl-1,2,4-triazol-3-yl]methyl]-1H-indole;5-fluoro-3-[[4-[3-(1-methylimidazol-4-yl)propyl]-5-[3-(trifluoromethyl)phenyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-1H-indole;3-[4-[3-(1H-imidazol-5-yl)propyl]-5-(4-methylphenyl)sulfanyl-1,2,4-triazol-3-yl]-1H-indole;3-[[4-[3-(1H-imidazol-5-yl)propyl]-5-(3-methylphenyl)sulfanyl-1,2,4-triazol-3-yl]methyl]-1H-indole?

The IUPAC name of 3-benzylsulfanyl-5-[2-(4-fluorophenyl)ethyl]-4-[3-(1H-imidazol-5-yl)propyl]-1,2,4-triazole;5-fluoro-3-[[4-[3-(1H-imidazol-5-yl)propyl]-5-(3-methylphenyl)sulfanyl-1,2,4-triazol-3-yl]methyl]-1H-indole;6-fluoro-3-[[4-[3-(1-methylimidazol-4-yl)propyl]-5-pyridin-2-ylsulfanyl-1,2,4-triazol-3-yl]methyl]-1H-indole;5-fluoro-3-[[4-[3-(1-methylimidazol-4-yl)propyl]-5-[3-(trifluoromethyl)phenyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-1H-indole;3-[4-[3-(1H-imidazol-5-yl)propyl]-5-(4-methylphenyl)sulfanyl-1,2,4-triazol-3-yl]-1H-indole;3-[[4-[3-(1H-imidazol-5-yl)propyl]-5-(3-methylphenyl)sulfanyl-1,2,4-triazol-3-yl]methyl]-1H-indole (CID 163819976) is 3-benzylsulfanyl-5-[2-(4-fluorophenyl)ethyl]-4-[3-(1H-imidazol-5-yl)propyl]-1,2,4-triazole;5-fluoro-3-[[4-[3-(1H-imidazol-5-yl)propyl]-5-(3-methylphenyl)sulfanyl-1,2,4-triazol-3-yl]methyl]-1H-indole;6-fluoro-3-[[4-[3-(1-methylimidazol-4-yl)propyl]-5-pyridin-2-ylsulfanyl-1,2,4-triazol-3-yl]methyl]-1H-indole;5-fluoro-3-[[4-[3-(1-methylimidazol-4-yl)propyl]-5-[3-(trifluoromethyl)phenyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-1H-indole;3-[4-[3-(1H-imidazol-5-yl)propyl]-5-(4-methylphenyl)sulfanyl-1,2,4-triazol-3-yl]-1H-indole;3-[[4-[3-(1H-imidazol-5-yl)propyl]-5-(3-methylphenyl)sulfanyl-1,2,4-triazol-3-yl]methyl]-1H-indole.

What is the SMILES notation for 3-benzylsulfanyl-5-[2-(4-fluorophenyl)ethyl]-4-[3-(1H-imidazol-5-yl)propyl]-1,2,4-triazole;5-fluoro-3-[[4-[3-(1H-imidazol-5-yl)propyl]-5-(3-methylphenyl)sulfanyl-1,2,4-triazol-3-yl]methyl]-1H-indole;6-fluoro-3-[[4-[3-(1-methylimidazol-4-yl)propyl]-5-pyridin-2-ylsulfanyl-1,2,4-triazol-3-yl]methyl]-1H-indole;5-fluoro-3-[[4-[3-(1-methylimidazol-4-yl)propyl]-5-[3-(trifluoromethyl)phenyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-1H-indole;3-[4-[3-(1H-imidazol-5-yl)propyl]-5-(4-methylphenyl)sulfanyl-1,2,4-triazol-3-yl]-1H-indole;3-[[4-[3-(1H-imidazol-5-yl)propyl]-5-(3-methylphenyl)sulfanyl-1,2,4-triazol-3-yl]methyl]-1H-indole?

The canonical SMILES for 3-benzylsulfanyl-5-[2-(4-fluorophenyl)ethyl]-4-[3-(1H-imidazol-5-yl)propyl]-1,2,4-triazole;5-fluoro-3-[[4-[3-(1H-imidazol-5-yl)propyl]-5-(3-methylphenyl)sulfanyl-1,2,4-triazol-3-yl]methyl]-1H-indole;6-fluoro-3-[[4-[3-(1-methylimidazol-4-yl)propyl]-5-pyridin-2-ylsulfanyl-1,2,4-triazol-3-yl]methyl]-1H-indole;5-fluoro-3-[[4-[3-(1-methylimidazol-4-yl)propyl]-5-[3-(trifluoromethyl)phenyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-1H-indole;3-[4-[3-(1H-imidazol-5-yl)propyl]-5-(4-methylphenyl)sulfanyl-1,2,4-triazol-3-yl]-1H-indole;3-[[4-[3-(1H-imidazol-5-yl)propyl]-5-(3-methylphenyl)sulfanyl-1,2,4-triazol-3-yl]methyl]-1H-indole is Cc1ccc(Sc2nnc(-c3c[nH]c4ccccc34)n2CCCc2cnc[nH]2)cc1.Cc1cccc(Sc2nnc(Cc3c[nH]c4ccc(F)cc34)n2CCCc2cnc[nH]2)c1.Cc1cccc(Sc2nnc(Cc3c[nH]c4ccccc34)n2CCCc2cnc[nH]2)c1.Cn1cnc(CCCn2c(Cc3c[nH]c4cc(F)ccc34)nnc2Sc2ccccn2)c1.Cn1cnc(CCCn2c(Cc3c[nH]c4ccc(F)cc34)nnc2Sc2cccc(C(F)(F)F)c2)c1.Fc1ccc(CCc2nnc(SCc3ccccc3)n2CCCc2cnc[nH]2)cc1.

What is the InChIKey of 3-benzylsulfanyl-5-[2-(4-fluorophenyl)ethyl]-4-[3-(1H-imidazol-5-yl)propyl]-1,2,4-triazole;5-fluoro-3-[[4-[3-(1H-imidazol-5-yl)propyl]-5-(3-methylphenyl)sulfanyl-1,2,4-triazol-3-yl]methyl]-1H-indole;6-fluoro-3-[[4-[3-(1-methylimidazol-4-yl)propyl]-5-pyridin-2-ylsulfanyl-1,2,4-triazol-3-yl]methyl]-1H-indole;5-fluoro-3-[[4-[3-(1-methylimidazol-4-yl)propyl]-5-[3-(trifluoromethyl)phenyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-1H-indole;3-[4-[3-(1H-imidazol-5-yl)propyl]-5-(4-methylphenyl)sulfanyl-1,2,4-triazol-3-yl]-1H-indole;3-[[4-[3-(1H-imidazol-5-yl)propyl]-5-(3-methylphenyl)sulfanyl-1,2,4-triazol-3-yl]methyl]-1H-indole?

The InChIKey is NUNWAJKDKILGHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F4N6S.C24H23FN6S.C24H24N6S.C23H22FN7S.C23H24FN5S.C23H22N6S/c1-34-14-19(31-15-34)5-3-9-35-23(10-16-13-30-22-8-7-18(26)12-21(16)22)32-33-24(35)36-20-6-2-4-17(11-20)25(27,28)29;1-16-4-2-6-20(10-16)32-24-30-29-23(31(24)9-3-5-19-14-26-15-28-19)11-17-13-27-22-8-7-18(25)12-21(17)22;1-17-6-4-8-20(12-17)31-24-29-28-23(30(24)11-5-7-19-15-25-16-27-19)13-18-14-26-22-10-3-2-9-21(18)22;1-30-14-18(27-15-30)5-4-10-31-21(28-29-23(31)32-22-6-2-3-9-25-22)11-16-13-26-20-12-17(24)7-8-19(16)20;24-20-11-8-18(9-12-20)10-13-22-27-28-23(30-16-19-5-2-1-3-6-19)29(22)14-4-7-21-15-25-17-26-21;1-16-8-10-18(11-9-16)30-23-28-27-22(20-14-25-21-7-3-2-6-19(20)21)29(23)12-4-5-17-13-24-15-26-17/h2,4,6-8,11-15,30H,3,5,9-10H2,1H3;2,4,6-8,10,12-15,27H,3,5,9,11H2,1H3,(H,26,28);2-4,6,8-10,12,14-16,26H,5,7,11,13H2,1H3,(H,25,27);2-3,6-9,12-15,26H,4-5,10-11H2,1H3;1-3,5-6,8-9,11-12,15,17H,4,7,10,13-14,16H2,(H,25,26);2-3,6-11,13-15,25H,4-5,12H2,1H3,(H,24,26).

What are the key properties of 3-benzylsulfanyl-5-[2-(4-fluorophenyl)ethyl]-4-[3-(1H-imidazol-5-yl)propyl]-1,2,4-triazole;5-fluoro-3-[[4-[3-(1H-imidazol-5-yl)propyl]-5-(3-methylphenyl)sulfanyl-1,2,4-triazol-3-yl]methyl]-1H-indole;6-fluoro-3-[[4-[3-(1-methylimidazol-4-yl)propyl]-5-pyridin-2-ylsulfanyl-1,2,4-triazol-3-yl]methyl]-1H-indole;5-fluoro-3-[[4-[3-(1-methylimidazol-4-yl)propyl]-5-[3-(trifluoromethyl)phenyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-1H-indole;3-[4-[3-(1H-imidazol-5-yl)propyl]-5-(4-methylphenyl)sulfanyl-1,2,4-triazol-3-yl]-1H-indole;3-[[4-[3-(1H-imidazol-5-yl)propyl]-5-(3-methylphenyl)sulfanyl-1,2,4-triazol-3-yl]methyl]-1H-indole?

3-benzylsulfanyl-5-[2-(4-fluorophenyl)ethyl]-4-[3-(1H-imidazol-5-yl)propyl]-1,2,4-triazole;5-fluoro-3-[[4-[3-(1H-imidazol-5-yl)propyl]-5-(3-methylphenyl)sulfanyl-1,2,4-triazol-3-yl]methyl]-1H-indole;6-fluoro-3-[[4-[3-(1-methylimidazol-4-yl)propyl]-5-pyridin-2-ylsulfanyl-1,2,4-triazol-3-yl]methyl]-1H-indole;5-fluoro-3-[[4-[3-(1-methylimidazol-4-yl)propyl]-5-[3-(trifluoromethyl)phenyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-1H-indole;3-[4-[3-(1H-imidazol-5-yl)propyl]-5-(4-methylphenyl)sulfanyl-1,2,4-triazol-3-yl]-1H-indole;3-[[4-[3-(1H-imidazol-5-yl)propyl]-5-(3-methylphenyl)sulfanyl-1,2,4-triazol-3-yl]methyl]-1H-indole has a molecular weight of 2673.30 g/mol, XLogP of 30.99, 49 rotatable bonds, 9 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 3-benzylsulfanyl-5-[2-(4-fluorophenyl)ethyl]-4-[3-(1H-imidazol-5-yl)propyl]-1,2,4-triazole;5-fluoro-3-[[4-[3-(1H-imidazol-5-yl)propyl]-5-(3-methylphenyl)sulfanyl-1,2,4-triazol-3-yl]methyl]-1H-indole;6-fluoro-3-[[4-[3-(1-methylimidazol-4-yl)propyl]-5-pyridin-2-ylsulfanyl-1,2,4-triazol-3-yl]methyl]-1H-indole;5-fluoro-3-[[4-[3-(1-methylimidazol-4-yl)propyl]-5-[3-(trifluoromethyl)phenyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-1H-indole;3-[4-[3-(1H-imidazol-5-yl)propyl]-5-(4-methylphenyl)sulfanyl-1,2,4-triazol-3-yl]-1H-indole;3-[[4-[3-(1H-imidazol-5-yl)propyl]-5-(3-methylphenyl)sulfanyl-1,2,4-triazol-3-yl]methyl]-1H-indole is sourced from PubChem (CID 163819976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).