2-(1H-benzimidazol-2-ylsulfinylmethyl)-N-methyl-N-(2-methylpropyl)aniline;6-(difluoromethoxy)-2-[(3,4-dimethoxy-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;hydroxy-(6-methoxy-1H-benzimidazol-2-yl)-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-methyl-λ4-sulfane;6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;5-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-imidazo[4,5-b]pyridine;2-[(4-methoxy-3-methyl-2-pyridinyl)methylsulfinyl]-6-pyrrol-1-yl-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

C139H151F5N26O21S8 — CID 159797025

About 2-(1H-benzimidazol-2-ylsulfinylmethyl)-N-methyl-N-(2-methylpropyl)aniline;6-(difluoromethoxy)-2-[(3,4-dimethoxy-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;hydroxy-(6-methoxy-1H-benzimidazol-2-yl)-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-methyl-λ4-sulfane;6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;5-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-imidazo[4,5-b]pyridine;2-[(4-methoxy-3-methyl-2-pyridinyl)methylsulfinyl]-6-pyrrol-1-yl-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

2-(1H-benzimidazol-2-ylsulfinylmethyl)-N-methyl-N-(2-methylpropyl)aniline;6-(difluoromethoxy)-2-[(3,4-dimethoxy-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;hydroxy-(6-methoxy-1H-benzimidazol-2-yl)-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-methyl-λ4-sulfane;6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;5-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-imidazo[4,5-b]pyridine;2-[(4-methoxy-3-methyl-2-pyridinyl)methylsulfinyl]-6-pyrrol-1-yl-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 (PubChem CID 159797025) has the molecular formula C139H151F5N26O21S8 and a molecular weight of 2873.42 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-ylsulfinylmethyl)-N-methyl-N-(2-methylpropyl)aniline;6-(difluoromethoxy)-2-[(3,4-dimethoxy-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;hydroxy-(6-methoxy-1H-benzimidazol-2-yl)-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-methyl-λ4-sulfane;6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;5-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-imidazo[4,5-b]pyridine;2-[(4-methoxy-3-methyl-2-pyridinyl)methylsulfinyl]-6-pyrrol-1-yl-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.

Molecular Properties

• Compound Name: 2-(1H-benzimidazol-2-ylsulfinylmethyl)-N-methyl-N-(2-methylpropyl)aniline;6-(difluoromethoxy)-2-[(3,4-dimethoxy-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;hydroxy-(6-methoxy-1H-benzimidazol-2-yl)-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-methyl-λ4-sulfane;6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;5-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-imidazo[4,5-b]pyridine;2-[(4-methoxy-3-methyl-2-pyridinyl)methylsulfinyl]-6-pyrrol-1-yl-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
• PubChem CID: 159797025
• Molecular Formula: C139H151F5N26O21S8
• Molecular Weight: 2873.42 g/mol
• Exact Mass: 2870.92
• IUPAC Name: 2-(1H-benzimidazol-2-ylsulfinylmethyl)-N-methyl-N-(2-methylpropyl)aniline;6-(difluoromethoxy)-2-[(3,4-dimethoxy-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;hydroxy-(6-methoxy-1H-benzimidazol-2-yl)-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-methyl-λ4-sulfane;6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;5-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-imidazo[4,5-b]pyridine;2-[(4-methoxy-3-methyl-2-pyridinyl)methylsulfinyl]-6-pyrrol-1-yl-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
• SMILES: CC(C)CN(C)c1ccccc1CS(=O)c1nc2ccccc2[nH]1.COCCCOc1ccnc(CS(=O)c2nc3ccccc3[nH]2)c1C.COc1ccc2[nH]c(S(=O)Cc3ncc(C)c(OC)c3C)nc2n1.COc1ccc2nc(S(=O)Cc3ncc(C)c(OC)c3C)[nH]c2c1.COc1ccc2nc(S(C)(O)Cc3ncc(C)c(OC)c3C)[nH]c2c1.COc1ccnc(CS(=O)c2nc3ccc(-n4cccc4)cc3[nH]2)c1C.COc1ccnc(CS(=O)c2nc3ccc(OC(F)F)cc3[nH]2)c1OC.Cc1c(OCC(F)(F)F)ccnc1CS(=O)c1nc2ccccc2[nH]1
• InChI: InChI=1S/C19H18N4O2S.C19H23N3OS.C18H23N3O3S.C18H21N3O3S.C17H19N3O3S.C16H14F3N3O2S.C16H15F2N3O4S.C16H18N4O3S/c1-13-17(20-8-7-18(13)25-2)12-26(24)19-21-15-6-5-14(11-16(15)22-19)23-9-3-4-10-23;1-14(2)12-22(3)18-11-7-4-8-15(18)13-24(23)19-20-16-9-5-6-10-17(16)21-19;1-11-9-19-16(12(2)17(11)24-4)10-25(5,22)18-20-14-7-6-13(23-3)8-15(14)21-18;1-13-16(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;1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17;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;1-23-13-5-6-19-12(14(13)24-2)8-26(22)16-20-10-4-3-9(25-15(17)18)7-11(10)21-16;1-9-7-17-12(10(2)14(9)23-4)8-24(21)16-18-11-5-6-13(22-3)19-15(11)20-16/h3-11H,12H2,1-2H3,(H,21,22);4-11,14H,12-13H2,1-3H3,(H,20,21);6-9,22H,10H2,1-5H3,(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);5-7H,8H2,1-4H3,(H,18,19,20)
• InChIKey: NJHNWIUFAJMHCB-UHFFFAOYSA-N
• XLogP: 25.98
• TPSA: 600.44 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 39
• Rotatable Bonds: 46
• Heavy Atoms: 199
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2873.42
LogP ≤ 5	25.98
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-ylsulfinylmethyl)-N-methyl-N-(2-methylpropyl)aniline;6-(difluoromethoxy)-2-[(3,4-dimethoxy-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;hydroxy-(6-methoxy-1H-benzimidazol-2-yl)-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-methyl-λ4-sulfane;6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;5-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-imidazo[4,5-b]pyridine;2-[(4-methoxy-3-methyl-2-pyridinyl)methylsulfinyl]-6-pyrrol-1-yl-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?

The IUPAC name of 2-(1H-benzimidazol-2-ylsulfinylmethyl)-N-methyl-N-(2-methylpropyl)aniline;6-(difluoromethoxy)-2-[(3,4-dimethoxy-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;hydroxy-(6-methoxy-1H-benzimidazol-2-yl)-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-methyl-λ4-sulfane;6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;5-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-imidazo[4,5-b]pyridine;2-[(4-methoxy-3-methyl-2-pyridinyl)methylsulfinyl]-6-pyrrol-1-yl-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 (CID 159797025) is 2-(1H-benzimidazol-2-ylsulfinylmethyl)-N-methyl-N-(2-methylpropyl)aniline;6-(difluoromethoxy)-2-[(3,4-dimethoxy-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;hydroxy-(6-methoxy-1H-benzimidazol-2-yl)-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-methyl-λ4-sulfane;6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;5-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-imidazo[4,5-b]pyridine;2-[(4-methoxy-3-methyl-2-pyridinyl)methylsulfinyl]-6-pyrrol-1-yl-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.

What is the SMILES notation for 2-(1H-benzimidazol-2-ylsulfinylmethyl)-N-methyl-N-(2-methylpropyl)aniline;6-(difluoromethoxy)-2-[(3,4-dimethoxy-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;hydroxy-(6-methoxy-1H-benzimidazol-2-yl)-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-methyl-λ4-sulfane;6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;5-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-imidazo[4,5-b]pyridine;2-[(4-methoxy-3-methyl-2-pyridinyl)methylsulfinyl]-6-pyrrol-1-yl-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?

The canonical SMILES for 2-(1H-benzimidazol-2-ylsulfinylmethyl)-N-methyl-N-(2-methylpropyl)aniline;6-(difluoromethoxy)-2-[(3,4-dimethoxy-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;hydroxy-(6-methoxy-1H-benzimidazol-2-yl)-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-methyl-λ4-sulfane;6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;5-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-imidazo[4,5-b]pyridine;2-[(4-methoxy-3-methyl-2-pyridinyl)methylsulfinyl]-6-pyrrol-1-yl-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 is CC(C)CN(C)c1ccccc1CS(=O)c1nc2ccccc2[nH]1.COCCCOc1ccnc(CS(=O)c2nc3ccccc3[nH]2)c1C.COc1ccc2[nH]c(S(=O)Cc3ncc(C)c(OC)c3C)nc2n1.COc1ccc2nc(S(=O)Cc3ncc(C)c(OC)c3C)[nH]c2c1.COc1ccc2nc(S(C)(O)Cc3ncc(C)c(OC)c3C)[nH]c2c1.COc1ccnc(CS(=O)c2nc3ccc(-n4cccc4)cc3[nH]2)c1C.COc1ccnc(CS(=O)c2nc3ccc(OC(F)F)cc3[nH]2)c1OC.Cc1c(OCC(F)(F)F)ccnc1CS(=O)c1nc2ccccc2[nH]1.

What is the InChIKey of 2-(1H-benzimidazol-2-ylsulfinylmethyl)-N-methyl-N-(2-methylpropyl)aniline;6-(difluoromethoxy)-2-[(3,4-dimethoxy-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;hydroxy-(6-methoxy-1H-benzimidazol-2-yl)-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-methyl-λ4-sulfane;6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;5-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-imidazo[4,5-b]pyridine;2-[(4-methoxy-3-methyl-2-pyridinyl)methylsulfinyl]-6-pyrrol-1-yl-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?

The InChIKey is NJHNWIUFAJMHCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2S.C19H23N3OS.C18H23N3O3S.C18H21N3O3S.C17H19N3O3S.C16H14F3N3O2S.C16H15F2N3O4S.C16H18N4O3S/c1-13-17(20-8-7-18(13)25-2)12-26(24)19-21-15-6-5-14(11-16(15)22-19)23-9-3-4-10-23;1-14(2)12-22(3)18-11-7-4-8-15(18)13-24(23)19-20-16-9-5-6-10-17(16)21-19;1-11-9-19-16(12(2)17(11)24-4)10-25(5,22)18-20-14-7-6-13(23-3)8-15(14)21-18;1-13-16(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;1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17;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;1-23-13-5-6-19-12(14(13)24-2)8-26(22)16-20-10-4-3-9(25-15(17)18)7-11(10)21-16;1-9-7-17-12(10(2)14(9)23-4)8-24(21)16-18-11-5-6-13(22-3)19-15(11)20-16/h3-11H,12H2,1-2H3,(H,21,22);4-11,14H,12-13H2,1-3H3,(H,20,21);6-9,22H,10H2,1-5H3,(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);5-7H,8H2,1-4H3,(H,18,19,20).

What are the key properties of 2-(1H-benzimidazol-2-ylsulfinylmethyl)-N-methyl-N-(2-methylpropyl)aniline;6-(difluoromethoxy)-2-[(3,4-dimethoxy-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;hydroxy-(6-methoxy-1H-benzimidazol-2-yl)-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-methyl-λ4-sulfane;6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;5-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-imidazo[4,5-b]pyridine;2-[(4-methoxy-3-methyl-2-pyridinyl)methylsulfinyl]-6-pyrrol-1-yl-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?

2-(1H-benzimidazol-2-ylsulfinylmethyl)-N-methyl-N-(2-methylpropyl)aniline;6-(difluoromethoxy)-2-[(3,4-dimethoxy-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;hydroxy-(6-methoxy-1H-benzimidazol-2-yl)-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-methyl-λ4-sulfane;6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;5-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-imidazo[4,5-b]pyridine;2-[(4-methoxy-3-methyl-2-pyridinyl)methylsulfinyl]-6-pyrrol-1-yl-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 has a molecular weight of 2873.42 g/mol, XLogP of 25.98, 46 rotatable bonds, 9 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1H-benzimidazol-2-ylsulfinylmethyl)-N-methyl-N-(2-methylpropyl)aniline;6-(difluoromethoxy)-2-[(3,4-dimethoxy-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;hydroxy-(6-methoxy-1H-benzimidazol-2-yl)-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-methyl-λ4-sulfane;6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;5-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-imidazo[4,5-b]pyridine;2-[(4-methoxy-3-methyl-2-pyridinyl)methylsulfinyl]-6-pyrrol-1-yl-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 is sourced from PubChem (CID 159797025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).