2-[dideuterio-[5,6-dideuterio-3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]sulfinyl-1H-benzimidazole;2-[dideuterio-[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]sulfinyl-1H-benzimidazole;2-[[5,6-dideuterio-3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole;4,5,6,7-tetradeuterio-2-[dideuterio-[5,6-dideuterio-3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]sulfinyl-1H-benzimidazole;4,5,6,7-tetradeuterio-2-[dideuterio-[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]sulfinyl-1H-benzimidazole;4,5,6,7-tetradeuterio-2-[[5,6-dideuterio-3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole;4,5,6,7-tetradeuterio-2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole

C112H98F21N21O14S7 — CID 162094532

About 2-[dideuterio-[5,6-dideuterio-3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]sulfinyl-1H-benzimidazole;2-[dideuterio-[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]sulfinyl-1H-benzimidazole;2-[[5,6-dideuterio-3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole;4,5,6,7-tetradeuterio-2-[dideuterio-[5,6-dideuterio-3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]sulfinyl-1H-benzimidazole;4,5,6,7-tetradeuterio-2-[dideuterio-[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]sulfinyl-1H-benzimidazole;4,5,6,7-tetradeuterio-2-[[5,6-dideuterio-3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole;4,5,6,7-tetradeuterio-2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole

2-[dideuterio-[5,6-dideuterio-3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]sulfinyl-1H-benzimidazole;2-[dideuterio-[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]sulfinyl-1H-benzimidazole;2-[[5,6-dideuterio-3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole;4,5,6,7-tetradeuterio-2-[dideuterio-[5,6-dideuterio-3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]sulfinyl-1H-benzimidazole;4,5,6,7-tetradeuterio-2-[dideuterio-[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]sulfinyl-1H-benzimidazole;4,5,6,7-tetradeuterio-2-[[5,6-dideuterio-3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole;4,5,6,7-tetradeuterio-2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole (PubChem CID 162094532) has the molecular formula C112H98F21N21O14S7 and a molecular weight of 2617.77 g/mol. Its IUPAC name is 2-[dideuterio-[5,6-dideuterio-3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]sulfinyl-1H-benzimidazole;2-[dideuterio-[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]sulfinyl-1H-benzimidazole;2-[[5,6-dideuterio-3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole;4,5,6,7-tetradeuterio-2-[dideuterio-[5,6-dideuterio-3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]sulfinyl-1H-benzimidazole;4,5,6,7-tetradeuterio-2-[dideuterio-[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]sulfinyl-1H-benzimidazole;4,5,6,7-tetradeuterio-2-[[5,6-dideuterio-3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole;4,5,6,7-tetradeuterio-2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole.

Molecular Properties

• Compound Name: 2-[dideuterio-[5,6-dideuterio-3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]sulfinyl-1H-benzimidazole;2-[dideuterio-[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]sulfinyl-1H-benzimidazole;2-[[5,6-dideuterio-3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole;4,5,6,7-tetradeuterio-2-[dideuterio-[5,6-dideuterio-3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]sulfinyl-1H-benzimidazole;4,5,6,7-tetradeuterio-2-[dideuterio-[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]sulfinyl-1H-benzimidazole;4,5,6,7-tetradeuterio-2-[[5,6-dideuterio-3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole;4,5,6,7-tetradeuterio-2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole
• PubChem CID: 162094532
• Molecular Formula: C112H98F21N21O14S7
• Molecular Weight: 2617.77 g/mol
• Exact Mass: 2615.73
• IUPAC Name: 2-[dideuterio-[5,6-dideuterio-3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]sulfinyl-1H-benzimidazole;2-[dideuterio-[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]sulfinyl-1H-benzimidazole;2-[[5,6-dideuterio-3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole;4,5,6,7-tetradeuterio-2-[dideuterio-[5,6-dideuterio-3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]sulfinyl-1H-benzimidazole;4,5,6,7-tetradeuterio-2-[dideuterio-[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]sulfinyl-1H-benzimidazole;4,5,6,7-tetradeuterio-2-[[5,6-dideuterio-3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole;4,5,6,7-tetradeuterio-2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole
• SMILES: [2H]C([2H])(c1nccc(OCC(F)(F)F)c1C)S(=O)c1nc2ccccc2[nH]1.[2H]c1c([2H])c([2H])c2[nH]c(S(=O)C([2H])([2H])c3nccc(OCC(F)(F)F)c3C)nc2c1[2H].[2H]c1c([2H])c([2H])c2[nH]c(S(=O)Cc3nccc(OCC(F)(F)F)c3C)nc2c1[2H].[2H]c1nc(C([2H])([2H])S(=O)c2nc3c([2H])c([2H])c([2H])c([2H])c3[nH]2)c(C)c(OCC(F)(F)F)c1[2H].[2H]c1nc(C([2H])([2H])S(=O)c2nc3ccccc3[nH]2)c(C)c(OCC(F)(F)F)c1[2H].[2H]c1nc(CS(=O)c2nc3c([2H])c([2H])c([2H])c([2H])c3[nH]2)c(C)c(OCC(F)(F)F)c1[2H].[2H]c1nc(CS(=O)c2nc3ccccc3[nH]2)c(C)c(OCC(F)(F)F)c1[2H]
• InChI: InChI=1S/7C16H14F3N3O2S/c7*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/h7*2-7H,8-9H2,1H3,(H,21,22)/i2D,3D,4D,5D,6D,7D,8D2;2D,3D,4D,5D,6D,7D;2D,3D,4D,5D,8D2;2D,3D,4D,5D;6D,7D,8D2;6D,7D;8D2
• InChIKey: ZEBIRIUZCNUQML-BAPOGIRYSA-N
• XLogP: 24.61
• TPSA: 475.09 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 28
• Rotatable Bonds: 35
• Heavy Atoms: 175
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2617.77
LogP ≤ 5	24.61
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of 2-[dideuterio-[5,6-dideuterio-3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]sulfinyl-1H-benzimidazole;2-[dideuterio-[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]sulfinyl-1H-benzimidazole;2-[[5,6-dideuterio-3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole;4,5,6,7-tetradeuterio-2-[dideuterio-[5,6-dideuterio-3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]sulfinyl-1H-benzimidazole;4,5,6,7-tetradeuterio-2-[dideuterio-[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]sulfinyl-1H-benzimidazole;4,5,6,7-tetradeuterio-2-[[5,6-dideuterio-3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole;4,5,6,7-tetradeuterio-2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole?

The IUPAC name of 2-[dideuterio-[5,6-dideuterio-3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]sulfinyl-1H-benzimidazole;2-[dideuterio-[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]sulfinyl-1H-benzimidazole;2-[[5,6-dideuterio-3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole;4,5,6,7-tetradeuterio-2-[dideuterio-[5,6-dideuterio-3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]sulfinyl-1H-benzimidazole;4,5,6,7-tetradeuterio-2-[dideuterio-[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]sulfinyl-1H-benzimidazole;4,5,6,7-tetradeuterio-2-[[5,6-dideuterio-3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole;4,5,6,7-tetradeuterio-2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole (CID 162094532) is 2-[dideuterio-[5,6-dideuterio-3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]sulfinyl-1H-benzimidazole;2-[dideuterio-[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]sulfinyl-1H-benzimidazole;2-[[5,6-dideuterio-3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole;4,5,6,7-tetradeuterio-2-[dideuterio-[5,6-dideuterio-3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]sulfinyl-1H-benzimidazole;4,5,6,7-tetradeuterio-2-[dideuterio-[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]sulfinyl-1H-benzimidazole;4,5,6,7-tetradeuterio-2-[[5,6-dideuterio-3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole;4,5,6,7-tetradeuterio-2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole.

What is the SMILES notation for 2-[dideuterio-[5,6-dideuterio-3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]sulfinyl-1H-benzimidazole;2-[dideuterio-[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]sulfinyl-1H-benzimidazole;2-[[5,6-dideuterio-3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole;4,5,6,7-tetradeuterio-2-[dideuterio-[5,6-dideuterio-3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]sulfinyl-1H-benzimidazole;4,5,6,7-tetradeuterio-2-[dideuterio-[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]sulfinyl-1H-benzimidazole;4,5,6,7-tetradeuterio-2-[[5,6-dideuterio-3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole;4,5,6,7-tetradeuterio-2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole?

The canonical SMILES for 2-[dideuterio-[5,6-dideuterio-3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]sulfinyl-1H-benzimidazole;2-[dideuterio-[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]sulfinyl-1H-benzimidazole;2-[[5,6-dideuterio-3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole;4,5,6,7-tetradeuterio-2-[dideuterio-[5,6-dideuterio-3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]sulfinyl-1H-benzimidazole;4,5,6,7-tetradeuterio-2-[dideuterio-[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]sulfinyl-1H-benzimidazole;4,5,6,7-tetradeuterio-2-[[5,6-dideuterio-3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole;4,5,6,7-tetradeuterio-2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole is [2H]C([2H])(c1nccc(OCC(F)(F)F)c1C)S(=O)c1nc2ccccc2[nH]1.[2H]c1c([2H])c([2H])c2[nH]c(S(=O)C([2H])([2H])c3nccc(OCC(F)(F)F)c3C)nc2c1[2H].[2H]c1c([2H])c([2H])c2[nH]c(S(=O)Cc3nccc(OCC(F)(F)F)c3C)nc2c1[2H].[2H]c1nc(C([2H])([2H])S(=O)c2nc3c([2H])c([2H])c([2H])c([2H])c3[nH]2)c(C)c(OCC(F)(F)F)c1[2H].[2H]c1nc(C([2H])([2H])S(=O)c2nc3ccccc3[nH]2)c(C)c(OCC(F)(F)F)c1[2H].[2H]c1nc(CS(=O)c2nc3c([2H])c([2H])c([2H])c([2H])c3[nH]2)c(C)c(OCC(F)(F)F)c1[2H].[2H]c1nc(CS(=O)c2nc3ccccc3[nH]2)c(C)c(OCC(F)(F)F)c1[2H].

What is the InChIKey of 2-[dideuterio-[5,6-dideuterio-3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]sulfinyl-1H-benzimidazole;2-[dideuterio-[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]sulfinyl-1H-benzimidazole;2-[[5,6-dideuterio-3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole;4,5,6,7-tetradeuterio-2-[dideuterio-[5,6-dideuterio-3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]sulfinyl-1H-benzimidazole;4,5,6,7-tetradeuterio-2-[dideuterio-[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]sulfinyl-1H-benzimidazole;4,5,6,7-tetradeuterio-2-[[5,6-dideuterio-3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole;4,5,6,7-tetradeuterio-2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole?

The InChIKey is ZEBIRIUZCNUQML-BAPOGIRYSA-N. The full InChI is InChI=1S/7C16H14F3N3O2S/c7*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/h7*2-7H,8-9H2,1H3,(H,21,22)/i2D,3D,4D,5D,6D,7D,8D2;2D,3D,4D,5D,6D,7D;2D,3D,4D,5D,8D2;2D,3D,4D,5D;6D,7D,8D2;6D,7D;8D2.

What are the key properties of 2-[dideuterio-[5,6-dideuterio-3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]sulfinyl-1H-benzimidazole;2-[dideuterio-[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]sulfinyl-1H-benzimidazole;2-[[5,6-dideuterio-3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole;4,5,6,7-tetradeuterio-2-[dideuterio-[5,6-dideuterio-3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]sulfinyl-1H-benzimidazole;4,5,6,7-tetradeuterio-2-[dideuterio-[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]sulfinyl-1H-benzimidazole;4,5,6,7-tetradeuterio-2-[[5,6-dideuterio-3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole;4,5,6,7-tetradeuterio-2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole?

2-[dideuterio-[5,6-dideuterio-3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]sulfinyl-1H-benzimidazole;2-[dideuterio-[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]sulfinyl-1H-benzimidazole;2-[[5,6-dideuterio-3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole;4,5,6,7-tetradeuterio-2-[dideuterio-[5,6-dideuterio-3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]sulfinyl-1H-benzimidazole;4,5,6,7-tetradeuterio-2-[dideuterio-[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]sulfinyl-1H-benzimidazole;4,5,6,7-tetradeuterio-2-[[5,6-dideuterio-3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole;4,5,6,7-tetradeuterio-2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole has a molecular weight of 2617.77 g/mol, XLogP of 24.61, 35 rotatable bonds, 7 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[dideuterio-[5,6-dideuterio-3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]sulfinyl-1H-benzimidazole;2-[dideuterio-[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]sulfinyl-1H-benzimidazole;2-[[5,6-dideuterio-3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole;4,5,6,7-tetradeuterio-2-[dideuterio-[5,6-dideuterio-3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]sulfinyl-1H-benzimidazole;4,5,6,7-tetradeuterio-2-[dideuterio-[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]sulfinyl-1H-benzimidazole;4,5,6,7-tetradeuterio-2-[[5,6-dideuterio-3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole;4,5,6,7-tetradeuterio-2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole is sourced from PubChem (CID 162094532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).