disodium;2-[(4,5-dimethoxy-3-methyl-2-pyridinyl)methylsulfinyl]-6-methoxy-1H-benzimidazole;bis(6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole);2-[[4-[(Z)-3-methoxyprop-2-enoxy]-3-methyl-2-pyridinyl]methylsulfinyl]-3H-indole;2-[[5-methyl-4-(trifluoromethoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole

C85H89F3N14Na2O15S5+2 — CID 163828812

About disodium;2-[(4,5-dimethoxy-3-methyl-2-pyridinyl)methylsulfinyl]-6-methoxy-1H-benzimidazole;bis(6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole);2-[[4-[(Z)-3-methoxyprop-2-enoxy]-3-methyl-2-pyridinyl]methylsulfinyl]-3H-indole;2-[[5-methyl-4-(trifluoromethoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole

disodium;2-[(4,5-dimethoxy-3-methyl-2-pyridinyl)methylsulfinyl]-6-methoxy-1H-benzimidazole;bis(6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole);2-[[4-[(Z)-3-methoxyprop-2-enoxy]-3-methyl-2-pyridinyl]methylsulfinyl]-3H-indole;2-[[5-methyl-4-(trifluoromethoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole (PubChem CID 163828812) has the molecular formula C85H89F3N14Na2O15S5+2 and a molecular weight of 1810.04 g/mol. Its IUPAC name is disodium;2-[(4,5-dimethoxy-3-methyl-2-pyridinyl)methylsulfinyl]-6-methoxy-1H-benzimidazole;bis(6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole);2-[[4-[(Z)-3-methoxyprop-2-enoxy]-3-methyl-2-pyridinyl]methylsulfinyl]-3H-indole;2-[[5-methyl-4-(trifluoromethoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole.

Molecular Properties

• Compound Name: disodium;2-[(4,5-dimethoxy-3-methyl-2-pyridinyl)methylsulfinyl]-6-methoxy-1H-benzimidazole;bis(6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole);2-[[4-[(Z)-3-methoxyprop-2-enoxy]-3-methyl-2-pyridinyl]methylsulfinyl]-3H-indole;2-[[5-methyl-4-(trifluoromethoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole
• PubChem CID: 163828812
• Molecular Formula: C85H89F3N14Na2O15S5+2
• Molecular Weight: 1810.04 g/mol
• Exact Mass: 1808.50
• IUPAC Name: disodium;2-[(4,5-dimethoxy-3-methyl-2-pyridinyl)methylsulfinyl]-6-methoxy-1H-benzimidazole;bis(6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole);2-[[4-[(Z)-3-methoxyprop-2-enoxy]-3-methyl-2-pyridinyl]methylsulfinyl]-3H-indole;2-[[5-methyl-4-(trifluoromethoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole
• SMILES: CO/C=C\COc1ccnc(CS(=O)C2=Nc3ccccc3C2)c1C.COc1ccc2nc(S(=O)Cc3ncc(C)c(OC)c3C)[nH]c2c1.COc1ccc2nc(S(=O)Cc3ncc(C)c(OC)c3C)[nH]c2c1.COc1ccc2nc(S(=O)Cc3ncc(OC)c(OC)c3C)[nH]c2c1.Cc1cnc(CS(=O)c2nc3ccccc3[nH]2)cc1OC(F)(F)F.[Na+].[Na+]
• InChI: InChI=1S/C19H20N2O3S.C17H19N3O4S.2C17H19N3O3S.C15H12F3N3O2S.2Na/c1-14-17(20-9-8-18(14)24-11-5-10-23-2)13-25(22)19-12-15-6-3-4-7-16(15)21-19;1-10-14(18-8-15(23-3)16(10)24-4)9-25(21)17-19-12-6-5-11(22-2)7-13(12)20-17;2*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;1-9-7-19-10(6-13(9)23-15(16,17)18)8-24(22)14-20-11-4-2-3-5-12(11)21-14;;/h3-10H,11-13H2,1-2H3;5-8H,9H2,1-4H3,(H,19,20);2*5-8H,9H2,1-4H3,(H,19,20);2-7H,8H2,1H3,(H,20,21);;/q;;;;;2*+1/b10-5-
• InChIKey: CPXRWICANUSPRE-FJEQRMMGSA-N
• XLogP: 9.34
• TPSA: 369.18 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 25
• Rotatable Bonds: 26
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1810.04
LogP ≤ 5	9.34
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of disodium;2-[(4,5-dimethoxy-3-methyl-2-pyridinyl)methylsulfinyl]-6-methoxy-1H-benzimidazole;bis(6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole);2-[[4-[(Z)-3-methoxyprop-2-enoxy]-3-methyl-2-pyridinyl]methylsulfinyl]-3H-indole;2-[[5-methyl-4-(trifluoromethoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole?

The IUPAC name of disodium;2-[(4,5-dimethoxy-3-methyl-2-pyridinyl)methylsulfinyl]-6-methoxy-1H-benzimidazole;bis(6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole);2-[[4-[(Z)-3-methoxyprop-2-enoxy]-3-methyl-2-pyridinyl]methylsulfinyl]-3H-indole;2-[[5-methyl-4-(trifluoromethoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole (CID 163828812) is disodium;2-[(4,5-dimethoxy-3-methyl-2-pyridinyl)methylsulfinyl]-6-methoxy-1H-benzimidazole;bis(6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole);2-[[4-[(Z)-3-methoxyprop-2-enoxy]-3-methyl-2-pyridinyl]methylsulfinyl]-3H-indole;2-[[5-methyl-4-(trifluoromethoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole.

What is the SMILES notation for disodium;2-[(4,5-dimethoxy-3-methyl-2-pyridinyl)methylsulfinyl]-6-methoxy-1H-benzimidazole;bis(6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole);2-[[4-[(Z)-3-methoxyprop-2-enoxy]-3-methyl-2-pyridinyl]methylsulfinyl]-3H-indole;2-[[5-methyl-4-(trifluoromethoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole?

The canonical SMILES for disodium;2-[(4,5-dimethoxy-3-methyl-2-pyridinyl)methylsulfinyl]-6-methoxy-1H-benzimidazole;bis(6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole);2-[[4-[(Z)-3-methoxyprop-2-enoxy]-3-methyl-2-pyridinyl]methylsulfinyl]-3H-indole;2-[[5-methyl-4-(trifluoromethoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole is CO/C=C\COc1ccnc(CS(=O)C2=Nc3ccccc3C2)c1C.COc1ccc2nc(S(=O)Cc3ncc(C)c(OC)c3C)[nH]c2c1.COc1ccc2nc(S(=O)Cc3ncc(C)c(OC)c3C)[nH]c2c1.COc1ccc2nc(S(=O)Cc3ncc(OC)c(OC)c3C)[nH]c2c1.Cc1cnc(CS(=O)c2nc3ccccc3[nH]2)cc1OC(F)(F)F.[Na+].[Na+].

What is the InChIKey of disodium;2-[(4,5-dimethoxy-3-methyl-2-pyridinyl)methylsulfinyl]-6-methoxy-1H-benzimidazole;bis(6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole);2-[[4-[(Z)-3-methoxyprop-2-enoxy]-3-methyl-2-pyridinyl]methylsulfinyl]-3H-indole;2-[[5-methyl-4-(trifluoromethoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole?

The InChIKey is CPXRWICANUSPRE-FJEQRMMGSA-N. The full InChI is InChI=1S/C19H20N2O3S.C17H19N3O4S.2C17H19N3O3S.C15H12F3N3O2S.2Na/c1-14-17(20-9-8-18(14)24-11-5-10-23-2)13-25(22)19-12-15-6-3-4-7-16(15)21-19;1-10-14(18-8-15(23-3)16(10)24-4)9-25(21)17-19-12-6-5-11(22-2)7-13(12)20-17;2*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;1-9-7-19-10(6-13(9)23-15(16,17)18)8-24(22)14-20-11-4-2-3-5-12(11)21-14;;/h3-10H,11-13H2,1-2H3;5-8H,9H2,1-4H3,(H,19,20);2*5-8H,9H2,1-4H3,(H,19,20);2-7H,8H2,1H3,(H,20,21);;/q;;;;;2*+1/b10-5-;;;;;;.

What are the key properties of disodium;2-[(4,5-dimethoxy-3-methyl-2-pyridinyl)methylsulfinyl]-6-methoxy-1H-benzimidazole;bis(6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole);2-[[4-[(Z)-3-methoxyprop-2-enoxy]-3-methyl-2-pyridinyl]methylsulfinyl]-3H-indole;2-[[5-methyl-4-(trifluoromethoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole?

disodium;2-[(4,5-dimethoxy-3-methyl-2-pyridinyl)methylsulfinyl]-6-methoxy-1H-benzimidazole;bis(6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole);2-[[4-[(Z)-3-methoxyprop-2-enoxy]-3-methyl-2-pyridinyl]methylsulfinyl]-3H-indole;2-[[5-methyl-4-(trifluoromethoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole has a molecular weight of 1810.04 g/mol, XLogP of 9.34, 26 rotatable bonds, 4 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for disodium;2-[(4,5-dimethoxy-3-methyl-2-pyridinyl)methylsulfinyl]-6-methoxy-1H-benzimidazole;bis(6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole);2-[[4-[(Z)-3-methoxyprop-2-enoxy]-3-methyl-2-pyridinyl]methylsulfinyl]-3H-indole;2-[[5-methyl-4-(trifluoromethoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole is sourced from PubChem (CID 163828812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).