6-(difluoromethoxy)-2-[(3,4-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;2-[[4-(3-methoxypropoxy)-3-methyl-2-pyridinyl]methylsulfanyl]-1H-benzimidazole;2-[[4-(3-methoxypropoxy)-3-methyl-2-pyridinyl]methylsulfinyl]-1H-benzimidazole;2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole;6-methyl-2-[(3,4,5-trimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole

C85H90F5N15O10S5 — CID 159389591

About 6-(difluoromethoxy)-2-[(3,4-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;2-[[4-(3-methoxypropoxy)-3-methyl-2-pyridinyl]methylsulfanyl]-1H-benzimidazole;2-[[4-(3-methoxypropoxy)-3-methyl-2-pyridinyl]methylsulfinyl]-1H-benzimidazole;2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole;6-methyl-2-[(3,4,5-trimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole

6-(difluoromethoxy)-2-[(3,4-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;2-[[4-(3-methoxypropoxy)-3-methyl-2-pyridinyl]methylsulfanyl]-1H-benzimidazole;2-[[4-(3-methoxypropoxy)-3-methyl-2-pyridinyl]methylsulfinyl]-1H-benzimidazole;2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole;6-methyl-2-[(3,4,5-trimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole (PubChem CID 159389591) has the molecular formula C85H90F5N15O10S5 and a molecular weight of 1737.07 g/mol. Its IUPAC name is 6-(difluoromethoxy)-2-[(3,4-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;2-[[4-(3-methoxypropoxy)-3-methyl-2-pyridinyl]methylsulfanyl]-1H-benzimidazole;2-[[4-(3-methoxypropoxy)-3-methyl-2-pyridinyl]methylsulfinyl]-1H-benzimidazole;2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole;6-methyl-2-[(3,4,5-trimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole.

Molecular Properties

• Compound Name: 6-(difluoromethoxy)-2-[(3,4-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;2-[[4-(3-methoxypropoxy)-3-methyl-2-pyridinyl]methylsulfanyl]-1H-benzimidazole;2-[[4-(3-methoxypropoxy)-3-methyl-2-pyridinyl]methylsulfinyl]-1H-benzimidazole;2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole;6-methyl-2-[(3,4,5-trimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole
• PubChem CID: 159389591
• Molecular Formula: C85H90F5N15O10S5
• Molecular Weight: 1737.07 g/mol
• Exact Mass: 1735.55
• IUPAC Name: 6-(difluoromethoxy)-2-[(3,4-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;2-[[4-(3-methoxypropoxy)-3-methyl-2-pyridinyl]methylsulfanyl]-1H-benzimidazole;2-[[4-(3-methoxypropoxy)-3-methyl-2-pyridinyl]methylsulfinyl]-1H-benzimidazole;2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole;6-methyl-2-[(3,4,5-trimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole
• SMILES: COCCCOc1ccnc(CS(=O)c2nc3ccccc3[nH]2)c1C.COCCCOc1ccnc(CSc2nc3ccccc3[nH]2)c1C.Cc1c(OCC(F)(F)F)ccnc1CS(=O)c1nc2ccccc2[nH]1.Cc1ccc2nc(S(=O)Cc3ncc(C)c(C)c3C)[nH]c2c1.Cc1ccnc(CS(=O)c2nc3ccc(OC(F)F)cc3[nH]2)c1C
• InChI: InChI=1S/C18H21N3O3S.C18H21N3O2S.C17H19N3OS.C16H14F3N3O2S.C16H15F2N3O2S/c1-13-16(19-9-8-17(13)24-11-5-10-23-2)12-25(22)18-20-14-6-3-4-7-15(14)21-18;1-13-16(19-9-8-17(13)23-11-5-10-22-2)12-24-18-20-14-6-3-4-7-15(14)21-18;1-10-5-6-14-15(7-10)20-17(19-14)22(21)9-16-13(4)12(3)11(2)8-18-16;1-10-13(20-7-6-14(10)24-9-16(17,18)19)8-25(23)15-21-11-4-2-3-5-12(11)22-15;1-9-5-6-19-14(10(9)2)8-24(22)16-20-12-4-3-11(23-15(17)18)7-13(12)21-16/h3-4,6-9H,5,10-12H2,1-2H3,(H,20,21);3-4,6-9H,5,10-12H2,1-2H3,(H,20,21);5-8H,9H2,1-4H3,(H,19,20);2-7H,8-9H2,1H3,(H,21,22);3-7,15H,8H2,1-2H3,(H,20,21)
• InChIKey: LLYCLXPYJXSALN-UHFFFAOYSA-N
• XLogP: 17.46
• TPSA: 331.51 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 21
• Rotatable Bonds: 29
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1737.07
LogP ≤ 5	17.46
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethoxy)-2-[(3,4-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;2-[[4-(3-methoxypropoxy)-3-methyl-2-pyridinyl]methylsulfanyl]-1H-benzimidazole;2-[[4-(3-methoxypropoxy)-3-methyl-2-pyridinyl]methylsulfinyl]-1H-benzimidazole;2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole;6-methyl-2-[(3,4,5-trimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole?

The IUPAC name of 6-(difluoromethoxy)-2-[(3,4-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;2-[[4-(3-methoxypropoxy)-3-methyl-2-pyridinyl]methylsulfanyl]-1H-benzimidazole;2-[[4-(3-methoxypropoxy)-3-methyl-2-pyridinyl]methylsulfinyl]-1H-benzimidazole;2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole;6-methyl-2-[(3,4,5-trimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole (CID 159389591) is 6-(difluoromethoxy)-2-[(3,4-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;2-[[4-(3-methoxypropoxy)-3-methyl-2-pyridinyl]methylsulfanyl]-1H-benzimidazole;2-[[4-(3-methoxypropoxy)-3-methyl-2-pyridinyl]methylsulfinyl]-1H-benzimidazole;2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole;6-methyl-2-[(3,4,5-trimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole.

What is the SMILES notation for 6-(difluoromethoxy)-2-[(3,4-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;2-[[4-(3-methoxypropoxy)-3-methyl-2-pyridinyl]methylsulfanyl]-1H-benzimidazole;2-[[4-(3-methoxypropoxy)-3-methyl-2-pyridinyl]methylsulfinyl]-1H-benzimidazole;2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole;6-methyl-2-[(3,4,5-trimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole?

The canonical SMILES for 6-(difluoromethoxy)-2-[(3,4-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;2-[[4-(3-methoxypropoxy)-3-methyl-2-pyridinyl]methylsulfanyl]-1H-benzimidazole;2-[[4-(3-methoxypropoxy)-3-methyl-2-pyridinyl]methylsulfinyl]-1H-benzimidazole;2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole;6-methyl-2-[(3,4,5-trimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole is COCCCOc1ccnc(CS(=O)c2nc3ccccc3[nH]2)c1C.COCCCOc1ccnc(CSc2nc3ccccc3[nH]2)c1C.Cc1c(OCC(F)(F)F)ccnc1CS(=O)c1nc2ccccc2[nH]1.Cc1ccc2nc(S(=O)Cc3ncc(C)c(C)c3C)[nH]c2c1.Cc1ccnc(CS(=O)c2nc3ccc(OC(F)F)cc3[nH]2)c1C.

What is the InChIKey of 6-(difluoromethoxy)-2-[(3,4-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;2-[[4-(3-methoxypropoxy)-3-methyl-2-pyridinyl]methylsulfanyl]-1H-benzimidazole;2-[[4-(3-methoxypropoxy)-3-methyl-2-pyridinyl]methylsulfinyl]-1H-benzimidazole;2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole;6-methyl-2-[(3,4,5-trimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole?

The InChIKey is LLYCLXPYJXSALN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3S.C18H21N3O2S.C17H19N3OS.C16H14F3N3O2S.C16H15F2N3O2S/c1-13-16(19-9-8-17(13)24-11-5-10-23-2)12-25(22)18-20-14-6-3-4-7-15(14)21-18;1-13-16(19-9-8-17(13)23-11-5-10-22-2)12-24-18-20-14-6-3-4-7-15(14)21-18;1-10-5-6-14-15(7-10)20-17(19-14)22(21)9-16-13(4)12(3)11(2)8-18-16;1-10-13(20-7-6-14(10)24-9-16(17,18)19)8-25(23)15-21-11-4-2-3-5-12(11)22-15;1-9-5-6-19-14(10(9)2)8-24(22)16-20-12-4-3-11(23-15(17)18)7-13(12)21-16/h3-4,6-9H,5,10-12H2,1-2H3,(H,20,21);3-4,6-9H,5,10-12H2,1-2H3,(H,20,21);5-8H,9H2,1-4H3,(H,19,20);2-7H,8-9H2,1H3,(H,21,22);3-7,15H,8H2,1-2H3,(H,20,21).

What are the key properties of 6-(difluoromethoxy)-2-[(3,4-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;2-[[4-(3-methoxypropoxy)-3-methyl-2-pyridinyl]methylsulfanyl]-1H-benzimidazole;2-[[4-(3-methoxypropoxy)-3-methyl-2-pyridinyl]methylsulfinyl]-1H-benzimidazole;2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole;6-methyl-2-[(3,4,5-trimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole?

6-(difluoromethoxy)-2-[(3,4-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;2-[[4-(3-methoxypropoxy)-3-methyl-2-pyridinyl]methylsulfanyl]-1H-benzimidazole;2-[[4-(3-methoxypropoxy)-3-methyl-2-pyridinyl]methylsulfinyl]-1H-benzimidazole;2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole;6-methyl-2-[(3,4,5-trimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole has a molecular weight of 1737.07 g/mol, XLogP of 17.46, 29 rotatable bonds, 5 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(difluoromethoxy)-2-[(3,4-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;2-[[4-(3-methoxypropoxy)-3-methyl-2-pyridinyl]methylsulfanyl]-1H-benzimidazole;2-[[4-(3-methoxypropoxy)-3-methyl-2-pyridinyl]methylsulfinyl]-1H-benzimidazole;2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole;6-methyl-2-[(3,4,5-trimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole is sourced from PubChem (CID 159389591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).