[2-[[6-(difluoromethoxy)-1H-benzimidazol-2-yl]sulfinylmethyl]-4-methyl-3-pyridinyl]methanol;2-[(4-ethoxy-3-methyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;[2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-3H-benzimidazol-5-yl]methanol;[2-[(S)-(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-3H-benzimidazol-5-yl]methanol;[2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-imidazo[4,5-b]pyridin-5-yl]methanol;2-[[4-(3-methoxypropoxy)-3-methyl-2-pyridinyl]methylsulfinyl]-1H-benzimidazole

C100H109F2N19O17S6 — CID 159855082

About [2-[[6-(difluoromethoxy)-1H-benzimidazol-2-yl]sulfinylmethyl]-4-methyl-3-pyridinyl]methanol;2-[(4-ethoxy-3-methyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;[2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-3H-benzimidazol-5-yl]methanol;[2-[(S)-(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-3H-benzimidazol-5-yl]methanol;[2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-imidazo[4,5-b]pyridin-5-yl]methanol;2-[[4-(3-methoxypropoxy)-3-methyl-2-pyridinyl]methylsulfinyl]-1H-benzimidazole

[2-[[6-(difluoromethoxy)-1H-benzimidazol-2-yl]sulfinylmethyl]-4-methyl-3-pyridinyl]methanol;2-[(4-ethoxy-3-methyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;[2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-3H-benzimidazol-5-yl]methanol;[2-[(S)-(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-3H-benzimidazol-5-yl]methanol;[2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-imidazo[4,5-b]pyridin-5-yl]methanol;2-[[4-(3-methoxypropoxy)-3-methyl-2-pyridinyl]methylsulfinyl]-1H-benzimidazole (PubChem CID 159855082) has the molecular formula C100H109F2N19O17S6 and a molecular weight of 2079.49 g/mol. Its IUPAC name is [2-[[6-(difluoromethoxy)-1H-benzimidazol-2-yl]sulfinylmethyl]-4-methyl-3-pyridinyl]methanol;2-[(4-ethoxy-3-methyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;[2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-3H-benzimidazol-5-yl]methanol;[2-[(S)-(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-3H-benzimidazol-5-yl]methanol;[2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-imidazo[4,5-b]pyridin-5-yl]methanol;2-[[4-(3-methoxypropoxy)-3-methyl-2-pyridinyl]methylsulfinyl]-1H-benzimidazole.

Molecular Properties

• Compound Name: [2-[[6-(difluoromethoxy)-1H-benzimidazol-2-yl]sulfinylmethyl]-4-methyl-3-pyridinyl]methanol;2-[(4-ethoxy-3-methyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;[2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-3H-benzimidazol-5-yl]methanol;[2-[(S)-(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-3H-benzimidazol-5-yl]methanol;[2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-imidazo[4,5-b]pyridin-5-yl]methanol;2-[[4-(3-methoxypropoxy)-3-methyl-2-pyridinyl]methylsulfinyl]-1H-benzimidazole
• PubChem CID: 159855082
• Molecular Formula: C100H109F2N19O17S6
• Molecular Weight: 2079.49 g/mol
• Exact Mass: 2077.65
• IUPAC Name: [2-[[6-(difluoromethoxy)-1H-benzimidazol-2-yl]sulfinylmethyl]-4-methyl-3-pyridinyl]methanol;2-[(4-ethoxy-3-methyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;[2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-3H-benzimidazol-5-yl]methanol;[2-[(S)-(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-3H-benzimidazol-5-yl]methanol;[2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-imidazo[4,5-b]pyridin-5-yl]methanol;2-[[4-(3-methoxypropoxy)-3-methyl-2-pyridinyl]methylsulfinyl]-1H-benzimidazole
• SMILES: CCOc1ccnc(CS(=O)c2nc3ccccc3[nH]2)c1C.COCCCOc1ccnc(CS(=O)c2nc3ccccc3[nH]2)c1C.COc1c(C)cnc(CS(=O)c2nc3ccc(CO)cc3[nH]2)c1C.COc1c(C)cnc(CS(=O)c2nc3nc(CO)ccc3[nH]2)c1C.COc1c(C)cnc(C[S@](=O)c2nc3ccc(CO)cc3[nH]2)c1C.Cc1ccnc(CS(=O)c2nc3ccc(OC(F)F)cc3[nH]2)c1CO
• InChI: InChI=1S/C18H21N3O3S.2C17H19N3O3S.C16H15F2N3O3S.C16H18N4O3S.C16H17N3O2S/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;2*1-10-7-18-15(11(2)16(10)23-3)9-24(22)17-19-13-5-4-12(8-21)6-14(13)20-17;1-9-4-5-19-14(11(9)7-22)8-25(23)16-20-12-3-2-10(24-15(17)18)6-13(12)21-16;1-9-6-17-13(10(2)14(9)23-3)8-24(22)16-19-12-5-4-11(7-21)18-15(12)20-16;1-3-21-15-8-9-17-14(11(15)2)10-22(20)16-18-12-6-4-5-7-13(12)19-16/h3-4,6-9H,5,10-12H2,1-2H3,(H,20,21);2*4-7,21H,8-9H2,1-3H3,(H,19,20);2-6,15,22H,7-8H2,1H3,(H,20,21);4-6,21H,7-8H2,1-3H3,(H,18,19,20);4-9H,3,10H2,1-2H3,(H,18,19)/t;24-;;;;/m.0..../s1
• InChIKey: NQKRUOPMYPYHPR-HAFDKPDHSA-N
• XLogP: 15.18
• TPSA: 510.26 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 30
• Rotatable Bonds: 34
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2079.49
LogP ≤ 5	15.18
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [2-[[6-(difluoromethoxy)-1H-benzimidazol-2-yl]sulfinylmethyl]-4-methyl-3-pyridinyl]methanol;2-[(4-ethoxy-3-methyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;[2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-3H-benzimidazol-5-yl]methanol;[2-[(S)-(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-3H-benzimidazol-5-yl]methanol;[2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-imidazo[4,5-b]pyridin-5-yl]methanol;2-[[4-(3-methoxypropoxy)-3-methyl-2-pyridinyl]methylsulfinyl]-1H-benzimidazole?

The IUPAC name of [2-[[6-(difluoromethoxy)-1H-benzimidazol-2-yl]sulfinylmethyl]-4-methyl-3-pyridinyl]methanol;2-[(4-ethoxy-3-methyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;[2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-3H-benzimidazol-5-yl]methanol;[2-[(S)-(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-3H-benzimidazol-5-yl]methanol;[2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-imidazo[4,5-b]pyridin-5-yl]methanol;2-[[4-(3-methoxypropoxy)-3-methyl-2-pyridinyl]methylsulfinyl]-1H-benzimidazole (CID 159855082) is [2-[[6-(difluoromethoxy)-1H-benzimidazol-2-yl]sulfinylmethyl]-4-methyl-3-pyridinyl]methanol;2-[(4-ethoxy-3-methyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;[2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-3H-benzimidazol-5-yl]methanol;[2-[(S)-(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-3H-benzimidazol-5-yl]methanol;[2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-imidazo[4,5-b]pyridin-5-yl]methanol;2-[[4-(3-methoxypropoxy)-3-methyl-2-pyridinyl]methylsulfinyl]-1H-benzimidazole.

What is the SMILES notation for [2-[[6-(difluoromethoxy)-1H-benzimidazol-2-yl]sulfinylmethyl]-4-methyl-3-pyridinyl]methanol;2-[(4-ethoxy-3-methyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;[2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-3H-benzimidazol-5-yl]methanol;[2-[(S)-(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-3H-benzimidazol-5-yl]methanol;[2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-imidazo[4,5-b]pyridin-5-yl]methanol;2-[[4-(3-methoxypropoxy)-3-methyl-2-pyridinyl]methylsulfinyl]-1H-benzimidazole?

The canonical SMILES for [2-[[6-(difluoromethoxy)-1H-benzimidazol-2-yl]sulfinylmethyl]-4-methyl-3-pyridinyl]methanol;2-[(4-ethoxy-3-methyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;[2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-3H-benzimidazol-5-yl]methanol;[2-[(S)-(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-3H-benzimidazol-5-yl]methanol;[2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-imidazo[4,5-b]pyridin-5-yl]methanol;2-[[4-(3-methoxypropoxy)-3-methyl-2-pyridinyl]methylsulfinyl]-1H-benzimidazole is CCOc1ccnc(CS(=O)c2nc3ccccc3[nH]2)c1C.COCCCOc1ccnc(CS(=O)c2nc3ccccc3[nH]2)c1C.COc1c(C)cnc(CS(=O)c2nc3ccc(CO)cc3[nH]2)c1C.COc1c(C)cnc(CS(=O)c2nc3nc(CO)ccc3[nH]2)c1C.COc1c(C)cnc(C[S@](=O)c2nc3ccc(CO)cc3[nH]2)c1C.Cc1ccnc(CS(=O)c2nc3ccc(OC(F)F)cc3[nH]2)c1CO.

What is the InChIKey of [2-[[6-(difluoromethoxy)-1H-benzimidazol-2-yl]sulfinylmethyl]-4-methyl-3-pyridinyl]methanol;2-[(4-ethoxy-3-methyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;[2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-3H-benzimidazol-5-yl]methanol;[2-[(S)-(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-3H-benzimidazol-5-yl]methanol;[2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-imidazo[4,5-b]pyridin-5-yl]methanol;2-[[4-(3-methoxypropoxy)-3-methyl-2-pyridinyl]methylsulfinyl]-1H-benzimidazole?

The InChIKey is NQKRUOPMYPYHPR-HAFDKPDHSA-N. The full InChI is InChI=1S/C18H21N3O3S.2C17H19N3O3S.C16H15F2N3O3S.C16H18N4O3S.C16H17N3O2S/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;2*1-10-7-18-15(11(2)16(10)23-3)9-24(22)17-19-13-5-4-12(8-21)6-14(13)20-17;1-9-4-5-19-14(11(9)7-22)8-25(23)16-20-12-3-2-10(24-15(17)18)6-13(12)21-16;1-9-6-17-13(10(2)14(9)23-3)8-24(22)16-19-12-5-4-11(7-21)18-15(12)20-16;1-3-21-15-8-9-17-14(11(15)2)10-22(20)16-18-12-6-4-5-7-13(12)19-16/h3-4,6-9H,5,10-12H2,1-2H3,(H,20,21);2*4-7,21H,8-9H2,1-3H3,(H,19,20);2-6,15,22H,7-8H2,1H3,(H,20,21);4-6,21H,7-8H2,1-3H3,(H,18,19,20);4-9H,3,10H2,1-2H3,(H,18,19)/t;24-;;;;/m.0..../s1.

What are the key properties of [2-[[6-(difluoromethoxy)-1H-benzimidazol-2-yl]sulfinylmethyl]-4-methyl-3-pyridinyl]methanol;2-[(4-ethoxy-3-methyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;[2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-3H-benzimidazol-5-yl]methanol;[2-[(S)-(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-3H-benzimidazol-5-yl]methanol;[2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-imidazo[4,5-b]pyridin-5-yl]methanol;2-[[4-(3-methoxypropoxy)-3-methyl-2-pyridinyl]methylsulfinyl]-1H-benzimidazole?

[2-[[6-(difluoromethoxy)-1H-benzimidazol-2-yl]sulfinylmethyl]-4-methyl-3-pyridinyl]methanol;2-[(4-ethoxy-3-methyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;[2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-3H-benzimidazol-5-yl]methanol;[2-[(S)-(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-3H-benzimidazol-5-yl]methanol;[2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-imidazo[4,5-b]pyridin-5-yl]methanol;2-[[4-(3-methoxypropoxy)-3-methyl-2-pyridinyl]methylsulfinyl]-1H-benzimidazole has a molecular weight of 2079.49 g/mol, XLogP of 15.18, 34 rotatable bonds, 10 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[[6-(difluoromethoxy)-1H-benzimidazol-2-yl]sulfinylmethyl]-4-methyl-3-pyridinyl]methanol;2-[(4-ethoxy-3-methyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;[2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-3H-benzimidazol-5-yl]methanol;[2-[(S)-(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-3H-benzimidazol-5-yl]methanol;[2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-imidazo[4,5-b]pyridin-5-yl]methanol;2-[[4-(3-methoxypropoxy)-3-methyl-2-pyridinyl]methylsulfinyl]-1H-benzimidazole is sourced from PubChem (CID 159855082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).