2-[[4-(cyclopropylmethoxy)-3-methoxy-2-pyridinyl]methylsulfinyl]-6-fluoro-1H-benzimidazole;6-(difluoromethoxy)-2-[(4-methoxy-3-methyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;2-[[4-(3-methoxypropoxy)-3-methyl-2-pyridinyl]methylsulfinyl]-1H-benzimidazole;methyl 2-[(3,4-dimethoxy-2-pyridinyl)methylsulfinyl]-6-methyl-1H-benzimidazole-5-carboxylate;2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole

C103H106F6N18O19S6 — CID 158176686

About 2-[[4-(cyclopropylmethoxy)-3-methoxy-2-pyridinyl]methylsulfinyl]-6-fluoro-1H-benzimidazole;6-(difluoromethoxy)-2-[(4-methoxy-3-methyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;2-[[4-(3-methoxypropoxy)-3-methyl-2-pyridinyl]methylsulfinyl]-1H-benzimidazole;methyl 2-[(3,4-dimethoxy-2-pyridinyl)methylsulfinyl]-6-methyl-1H-benzimidazole-5-carboxylate;2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole

2-[[4-(cyclopropylmethoxy)-3-methoxy-2-pyridinyl]methylsulfinyl]-6-fluoro-1H-benzimidazole;6-(difluoromethoxy)-2-[(4-methoxy-3-methyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;2-[[4-(3-methoxypropoxy)-3-methyl-2-pyridinyl]methylsulfinyl]-1H-benzimidazole;methyl 2-[(3,4-dimethoxy-2-pyridinyl)methylsulfinyl]-6-methyl-1H-benzimidazole-5-carboxylate;2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole (PubChem CID 158176686) has the molecular formula C103H106F6N18O19S6 and a molecular weight of 2206.48 g/mol. Its IUPAC name is 2-[[4-(cyclopropylmethoxy)-3-methoxy-2-pyridinyl]methylsulfinyl]-6-fluoro-1H-benzimidazole;6-(difluoromethoxy)-2-[(4-methoxy-3-methyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;2-[[4-(3-methoxypropoxy)-3-methyl-2-pyridinyl]methylsulfinyl]-1H-benzimidazole;methyl 2-[(3,4-dimethoxy-2-pyridinyl)methylsulfinyl]-6-methyl-1H-benzimidazole-5-carboxylate;2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole.

Molecular Properties

• Compound Name: 2-[[4-(cyclopropylmethoxy)-3-methoxy-2-pyridinyl]methylsulfinyl]-6-fluoro-1H-benzimidazole;6-(difluoromethoxy)-2-[(4-methoxy-3-methyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;2-[[4-(3-methoxypropoxy)-3-methyl-2-pyridinyl]methylsulfinyl]-1H-benzimidazole;methyl 2-[(3,4-dimethoxy-2-pyridinyl)methylsulfinyl]-6-methyl-1H-benzimidazole-5-carboxylate;2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole
• PubChem CID: 158176686
• Molecular Formula: C103H106F6N18O19S6
• Molecular Weight: 2206.48 g/mol
• Exact Mass: 2204.61
• IUPAC Name: 2-[[4-(cyclopropylmethoxy)-3-methoxy-2-pyridinyl]methylsulfinyl]-6-fluoro-1H-benzimidazole;6-(difluoromethoxy)-2-[(4-methoxy-3-methyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;2-[[4-(3-methoxypropoxy)-3-methyl-2-pyridinyl]methylsulfinyl]-1H-benzimidazole;methyl 2-[(3,4-dimethoxy-2-pyridinyl)methylsulfinyl]-6-methyl-1H-benzimidazole-5-carboxylate;2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole
• SMILES: COC(=O)c1cc2nc(S(=O)Cc3nccc(OC)c3OC)[nH]c2cc1C.COCCCOc1ccnc(CS(=O)c2nc3ccccc3[nH]2)c1C.COc1c(OCC2CC2)ccnc1CS(=O)c1nc2ccc(F)cc2[nH]1.COc1ccc2nc(S(=O)Cc3ncc(C)c(OC)c3C)[nH]c2c1.COc1ccnc(CS(=O)c2nc3ccc(OC(F)F)cc3[nH]2)c1C.Cc1c(OCC(F)(F)F)ccnc1CS(=O)c1nc2ccccc2[nH]1
• InChI: InChI=1S/C18H18FN3O3S.C18H19N3O5S.C18H21N3O3S.C17H19N3O3S.C16H14F3N3O2S.C16H15F2N3O3S/c1-24-17-15(20-7-6-16(17)25-9-11-2-3-11)10-26(23)18-21-13-5-4-12(19)8-14(13)22-18;1-10-7-12-13(8-11(10)17(22)26-4)21-18(20-12)27(23)9-14-16(25-3)15(24-2)5-6-19-14;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;1-9-13(19-6-5-14(9)23-2)8-25(22)16-20-11-4-3-10(24-15(17)18)7-12(11)21-16/h4-8,11H,2-3,9-10H2,1H3,(H,21,22);5-8H,9H2,1-4H3,(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: FYBVOEOCECNTNZ-UHFFFAOYSA-N
• XLogP: 18.17
• TPSA: 479.67 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 31
• Rotatable Bonds: 37
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2206.48
LogP ≤ 5	18.17
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 2-[[4-(cyclopropylmethoxy)-3-methoxy-2-pyridinyl]methylsulfinyl]-6-fluoro-1H-benzimidazole;6-(difluoromethoxy)-2-[(4-methoxy-3-methyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;2-[[4-(3-methoxypropoxy)-3-methyl-2-pyridinyl]methylsulfinyl]-1H-benzimidazole;methyl 2-[(3,4-dimethoxy-2-pyridinyl)methylsulfinyl]-6-methyl-1H-benzimidazole-5-carboxylate;2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole (CID 158176686) is 2-[[4-(cyclopropylmethoxy)-3-methoxy-2-pyridinyl]methylsulfinyl]-6-fluoro-1H-benzimidazole;6-(difluoromethoxy)-2-[(4-methoxy-3-methyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;2-[[4-(3-methoxypropoxy)-3-methyl-2-pyridinyl]methylsulfinyl]-1H-benzimidazole;methyl 2-[(3,4-dimethoxy-2-pyridinyl)methylsulfinyl]-6-methyl-1H-benzimidazole-5-carboxylate;2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole.

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

The canonical SMILES for 2-[[4-(cyclopropylmethoxy)-3-methoxy-2-pyridinyl]methylsulfinyl]-6-fluoro-1H-benzimidazole;6-(difluoromethoxy)-2-[(4-methoxy-3-methyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;2-[[4-(3-methoxypropoxy)-3-methyl-2-pyridinyl]methylsulfinyl]-1H-benzimidazole;methyl 2-[(3,4-dimethoxy-2-pyridinyl)methylsulfinyl]-6-methyl-1H-benzimidazole-5-carboxylate;2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole is COC(=O)c1cc2nc(S(=O)Cc3nccc(OC)c3OC)[nH]c2cc1C.COCCCOc1ccnc(CS(=O)c2nc3ccccc3[nH]2)c1C.COc1c(OCC2CC2)ccnc1CS(=O)c1nc2ccc(F)cc2[nH]1.COc1ccc2nc(S(=O)Cc3ncc(C)c(OC)c3C)[nH]c2c1.COc1ccnc(CS(=O)c2nc3ccc(OC(F)F)cc3[nH]2)c1C.Cc1c(OCC(F)(F)F)ccnc1CS(=O)c1nc2ccccc2[nH]1.

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

The InChIKey is FYBVOEOCECNTNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O3S.C18H19N3O5S.C18H21N3O3S.C17H19N3O3S.C16H14F3N3O2S.C16H15F2N3O3S/c1-24-17-15(20-7-6-16(17)25-9-11-2-3-11)10-26(23)18-21-13-5-4-12(19)8-14(13)22-18;1-10-7-12-13(8-11(10)17(22)26-4)21-18(20-12)27(23)9-14-16(25-3)15(24-2)5-6-19-14;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;1-9-13(19-6-5-14(9)23-2)8-25(22)16-20-11-4-3-10(24-15(17)18)7-12(11)21-16/h4-8,11H,2-3,9-10H2,1H3,(H,21,22);5-8H,9H2,1-4H3,(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 2-[[4-(cyclopropylmethoxy)-3-methoxy-2-pyridinyl]methylsulfinyl]-6-fluoro-1H-benzimidazole;6-(difluoromethoxy)-2-[(4-methoxy-3-methyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;2-[[4-(3-methoxypropoxy)-3-methyl-2-pyridinyl]methylsulfinyl]-1H-benzimidazole;methyl 2-[(3,4-dimethoxy-2-pyridinyl)methylsulfinyl]-6-methyl-1H-benzimidazole-5-carboxylate;2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole?

2-[[4-(cyclopropylmethoxy)-3-methoxy-2-pyridinyl]methylsulfinyl]-6-fluoro-1H-benzimidazole;6-(difluoromethoxy)-2-[(4-methoxy-3-methyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;2-[[4-(3-methoxypropoxy)-3-methyl-2-pyridinyl]methylsulfinyl]-1H-benzimidazole;methyl 2-[(3,4-dimethoxy-2-pyridinyl)methylsulfinyl]-6-methyl-1H-benzimidazole-5-carboxylate;2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole has a molecular weight of 2206.48 g/mol, XLogP of 18.17, 37 rotatable bonds, 6 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[4-(cyclopropylmethoxy)-3-methoxy-2-pyridinyl]methylsulfinyl]-6-fluoro-1H-benzimidazole;6-(difluoromethoxy)-2-[(4-methoxy-3-methyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;2-[[4-(3-methoxypropoxy)-3-methyl-2-pyridinyl]methylsulfinyl]-1H-benzimidazole;methyl 2-[(3,4-dimethoxy-2-pyridinyl)methylsulfinyl]-6-methyl-1H-benzimidazole-5-carboxylate;2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole is sourced from PubChem (CID 158176686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).