3-(difluoromethyl)-N-[1-(4-methylsulfinylbutyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-(3-hydroxypropyl)-5-(2-oxoimidazolidin-1-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-5-(trifluoromethyl)pyridine-3-carboxamide

C88H87F11N18O15S — CID 157314927

About 3-(difluoromethyl)-N-[1-(4-methylsulfinylbutyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-(3-hydroxypropyl)-5-(2-oxoimidazolidin-1-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-5-(trifluoromethyl)pyridine-3-carboxamide

3-(difluoromethyl)-N-[1-(4-methylsulfinylbutyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-(3-hydroxypropyl)-5-(2-oxoimidazolidin-1-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-5-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 157314927) has the molecular formula C88H87F11N18O15S and a molecular weight of 1877.82 g/mol. Its IUPAC name is 3-(difluoromethyl)-N-[1-(4-methylsulfinylbutyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-(3-hydroxypropyl)-5-(2-oxoimidazolidin-1-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-5-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 3-(difluoromethyl)-N-[1-(4-methylsulfinylbutyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-(3-hydroxypropyl)-5-(2-oxoimidazolidin-1-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-5-(trifluoromethyl)pyridine-3-carboxamide
• PubChem CID: 157314927
• Molecular Formula: C88H87F11N18O15S
• Molecular Weight: 1877.82 g/mol
• Exact Mass: 1876.61
• IUPAC Name: 3-(difluoromethyl)-N-[1-(4-methylsulfinylbutyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-(3-hydroxypropyl)-5-(2-oxoimidazolidin-1-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-5-(trifluoromethyl)pyridine-3-carboxamide
• SMILES: CS(=O)CCCCn1c(NC(=O)c2cccc(C(F)F)c2)nc2cc(N3CCOCC3=O)ccc21.O=C(Nc1nc2cc(N3CCNC3=O)ccc2n1CCCO)c1cccc(C(F)(F)F)c1.O=C(Nc1nc2cc(N3CCOCC3=O)ccc2n1CCCO)c1cccc(C(F)(F)F)c1.O=C(Nc1nc2cc(N3CCOCC3=O)ccc2n1CCCO)c1cncc(C(F)(F)F)c1
• InChI: InChI=1S/C24H26F2N4O4S.C22H21F3N4O4.C21H20F3N5O4.C21H20F3N5O3/c1-35(33)12-3-2-9-30-20-8-7-18(29-10-11-34-15-21(29)31)14-19(20)27-24(30)28-23(32)17-6-4-5-16(13-17)22(25)26;23-22(24,25)15-4-1-3-14(11-15)20(32)27-21-26-17-12-16(28-8-10-33-13-19(28)31)5-6-18(17)29(21)7-2-9-30;22-21(23,24)14-8-13(10-25-11-14)19(32)27-20-26-16-9-15(28-5-7-33-12-18(28)31)2-3-17(16)29(20)4-1-6-30;22-21(23,24)14-4-1-3-13(11-14)18(31)27-19-26-16-12-15(28-9-7-25-20(28)32)5-6-17(16)29(19)8-2-10-30/h4-8,13-14,22H,2-3,9-12,15H2,1H3,(H,27,28,32);1,3-6,11-12,30H,2,7-10,13H2,(H,26,27,32);2-3,8-11,30H,1,4-7,12H2,(H,26,27,32);1,3-6,11-12,30H,2,7-10H2,(H,25,32)(H,26,27,31)
• InChIKey: BDMCFGWBVRJQMQ-UHFFFAOYSA-N
• XLogP: 12.47
• TPSA: 399.29 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 24
• Rotatable Bonds: 27
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1877.82
LogP ≤ 5	12.47
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-N-[1-(4-methylsulfinylbutyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-(3-hydroxypropyl)-5-(2-oxoimidazolidin-1-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-5-(trifluoromethyl)pyridine-3-carboxamide?

The IUPAC name of 3-(difluoromethyl)-N-[1-(4-methylsulfinylbutyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-(3-hydroxypropyl)-5-(2-oxoimidazolidin-1-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-5-(trifluoromethyl)pyridine-3-carboxamide (CID 157314927) is 3-(difluoromethyl)-N-[1-(4-methylsulfinylbutyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-(3-hydroxypropyl)-5-(2-oxoimidazolidin-1-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-5-(trifluoromethyl)pyridine-3-carboxamide.

What is the SMILES notation for 3-(difluoromethyl)-N-[1-(4-methylsulfinylbutyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-(3-hydroxypropyl)-5-(2-oxoimidazolidin-1-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-5-(trifluoromethyl)pyridine-3-carboxamide?

The canonical SMILES for 3-(difluoromethyl)-N-[1-(4-methylsulfinylbutyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-(3-hydroxypropyl)-5-(2-oxoimidazolidin-1-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-5-(trifluoromethyl)pyridine-3-carboxamide is CS(=O)CCCCn1c(NC(=O)c2cccc(C(F)F)c2)nc2cc(N3CCOCC3=O)ccc21.O=C(Nc1nc2cc(N3CCNC3=O)ccc2n1CCCO)c1cccc(C(F)(F)F)c1.O=C(Nc1nc2cc(N3CCOCC3=O)ccc2n1CCCO)c1cccc(C(F)(F)F)c1.O=C(Nc1nc2cc(N3CCOCC3=O)ccc2n1CCCO)c1cncc(C(F)(F)F)c1.

What is the InChIKey of 3-(difluoromethyl)-N-[1-(4-methylsulfinylbutyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-(3-hydroxypropyl)-5-(2-oxoimidazolidin-1-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-5-(trifluoromethyl)pyridine-3-carboxamide?

The InChIKey is BDMCFGWBVRJQMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F2N4O4S.C22H21F3N4O4.C21H20F3N5O4.C21H20F3N5O3/c1-35(33)12-3-2-9-30-20-8-7-18(29-10-11-34-15-21(29)31)14-19(20)27-24(30)28-23(32)17-6-4-5-16(13-17)22(25)26;23-22(24,25)15-4-1-3-14(11-15)20(32)27-21-26-17-12-16(28-8-10-33-13-19(28)31)5-6-18(17)29(21)7-2-9-30;22-21(23,24)14-8-13(10-25-11-14)19(32)27-20-26-16-9-15(28-5-7-33-12-18(28)31)2-3-17(16)29(20)4-1-6-30;22-21(23,24)14-4-1-3-13(11-14)18(31)27-19-26-16-12-15(28-9-7-25-20(28)32)5-6-17(16)29(19)8-2-10-30/h4-8,13-14,22H,2-3,9-12,15H2,1H3,(H,27,28,32);1,3-6,11-12,30H,2,7-10,13H2,(H,26,27,32);2-3,8-11,30H,1,4-7,12H2,(H,26,27,32);1,3-6,11-12,30H,2,7-10H2,(H,25,32)(H,26,27,31).

What are the key properties of 3-(difluoromethyl)-N-[1-(4-methylsulfinylbutyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-(3-hydroxypropyl)-5-(2-oxoimidazolidin-1-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-5-(trifluoromethyl)pyridine-3-carboxamide?

3-(difluoromethyl)-N-[1-(4-methylsulfinylbutyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-(3-hydroxypropyl)-5-(2-oxoimidazolidin-1-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-5-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 1877.82 g/mol, XLogP of 12.47, 27 rotatable bonds, 8 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(difluoromethyl)-N-[1-(4-methylsulfinylbutyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-(3-hydroxypropyl)-5-(2-oxoimidazolidin-1-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-5-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 157314927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).