2-(1H-benzimidazol-2-ylsulfinylmethyl)-N-methyl-N-(2-methylpropyl)aniline;[9-(1H-benzimidazol-2-ylsulfinyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-4-yl]methanol;6-(difluoromethoxy)-2-[(3,4-dimethoxy-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;2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole

C104H111F5N18O15S6 — CID 158109359

About 2-(1H-benzimidazol-2-ylsulfinylmethyl)-N-methyl-N-(2-methylpropyl)aniline;[9-(1H-benzimidazol-2-ylsulfinyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-4-yl]methanol;6-(difluoromethoxy)-2-[(3,4-dimethoxy-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;2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole

2-(1H-benzimidazol-2-ylsulfinylmethyl)-N-methyl-N-(2-methylpropyl)aniline;[9-(1H-benzimidazol-2-ylsulfinyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-4-yl]methanol;6-(difluoromethoxy)-2-[(3,4-dimethoxy-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;2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole (PubChem CID 158109359) has the molecular formula C104H111F5N18O15S6 and a molecular weight of 2140.53 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-ylsulfinylmethyl)-N-methyl-N-(2-methylpropyl)aniline;[9-(1H-benzimidazol-2-ylsulfinyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-4-yl]methanol;6-(difluoromethoxy)-2-[(3,4-dimethoxy-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;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;[9-(1H-benzimidazol-2-ylsulfinyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-4-yl]methanol;6-(difluoromethoxy)-2-[(3,4-dimethoxy-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;2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole
• PubChem CID: 158109359
• Molecular Formula: C104H111F5N18O15S6
• Molecular Weight: 2140.53 g/mol
• Exact Mass: 2138.67
• IUPAC Name: 2-(1H-benzimidazol-2-ylsulfinylmethyl)-N-methyl-N-(2-methylpropyl)aniline;[9-(1H-benzimidazol-2-ylsulfinyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-4-yl]methanol;6-(difluoromethoxy)-2-[(3,4-dimethoxy-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;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.COc1ccc2nc(S(=O)Cc3ncc(C)c(OC)c3C)[nH]c2c1.COc1ccnc(CS(=O)c2nc3ccc(OC(F)F)cc3[nH]2)c1OC.Cc1c(OCC(F)(F)F)ccnc1CS(=O)c1nc2ccccc2[nH]1.O=S(c1nc2ccccc2[nH]1)C1CCCCc2c(CO)ccnc21
• InChI: InChI=1S/C19H23N3OS.C18H21N3O3S.C18H19N3O2S.C17H19N3O3S.C16H14F3N3O2S.C16H15F2N3O4S/c1-14(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;1-13-16(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;22-11-12-9-10-19-17-13(12)5-1-4-8-16(17)24(23)18-20-14-6-2-3-7-15(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/h4-11,14H,12-13H2,1-3H3,(H,20,21);3-4,6-9H,5,10-12H2,1-2H3,(H,20,21);2-3,6-7,9-10,16,22H,1,4-5,8,11H2,(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: FQFSUSXAFRSRQO-UHFFFAOYSA-N
• XLogP: 19.28
• TPSA: 436.26 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 27
• Rotatable Bonds: 34
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2140.53
LogP ≤ 5	19.28
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	27

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;[9-(1H-benzimidazol-2-ylsulfinyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-4-yl]methanol;6-(difluoromethoxy)-2-[(3,4-dimethoxy-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;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;[9-(1H-benzimidazol-2-ylsulfinyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-4-yl]methanol;6-(difluoromethoxy)-2-[(3,4-dimethoxy-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;2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole (CID 158109359) is 2-(1H-benzimidazol-2-ylsulfinylmethyl)-N-methyl-N-(2-methylpropyl)aniline;[9-(1H-benzimidazol-2-ylsulfinyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-4-yl]methanol;6-(difluoromethoxy)-2-[(3,4-dimethoxy-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;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;[9-(1H-benzimidazol-2-ylsulfinyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-4-yl]methanol;6-(difluoromethoxy)-2-[(3,4-dimethoxy-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;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;[9-(1H-benzimidazol-2-ylsulfinyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-4-yl]methanol;6-(difluoromethoxy)-2-[(3,4-dimethoxy-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;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.COc1ccc2nc(S(=O)Cc3ncc(C)c(OC)c3C)[nH]c2c1.COc1ccnc(CS(=O)c2nc3ccc(OC(F)F)cc3[nH]2)c1OC.Cc1c(OCC(F)(F)F)ccnc1CS(=O)c1nc2ccccc2[nH]1.O=S(c1nc2ccccc2[nH]1)C1CCCCc2c(CO)ccnc21.

What is the InChIKey of 2-(1H-benzimidazol-2-ylsulfinylmethyl)-N-methyl-N-(2-methylpropyl)aniline;[9-(1H-benzimidazol-2-ylsulfinyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-4-yl]methanol;6-(difluoromethoxy)-2-[(3,4-dimethoxy-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;2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole?

The InChIKey is FQFSUSXAFRSRQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3OS.C18H21N3O3S.C18H19N3O2S.C17H19N3O3S.C16H14F3N3O2S.C16H15F2N3O4S/c1-14(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;1-13-16(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;22-11-12-9-10-19-17-13(12)5-1-4-8-16(17)24(23)18-20-14-6-2-3-7-15(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/h4-11,14H,12-13H2,1-3H3,(H,20,21);3-4,6-9H,5,10-12H2,1-2H3,(H,20,21);2-3,6-7,9-10,16,22H,1,4-5,8,11H2,(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-(1H-benzimidazol-2-ylsulfinylmethyl)-N-methyl-N-(2-methylpropyl)aniline;[9-(1H-benzimidazol-2-ylsulfinyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-4-yl]methanol;6-(difluoromethoxy)-2-[(3,4-dimethoxy-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;2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole?

2-(1H-benzimidazol-2-ylsulfinylmethyl)-N-methyl-N-(2-methylpropyl)aniline;[9-(1H-benzimidazol-2-ylsulfinyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-4-yl]methanol;6-(difluoromethoxy)-2-[(3,4-dimethoxy-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;2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole has a molecular weight of 2140.53 g/mol, XLogP of 19.28, 34 rotatable bonds, 7 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1H-benzimidazol-2-ylsulfinylmethyl)-N-methyl-N-(2-methylpropyl)aniline;[9-(1H-benzimidazol-2-ylsulfinyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-4-yl]methanol;6-(difluoromethoxy)-2-[(3,4-dimethoxy-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;2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole is sourced from PubChem (CID 158109359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).