N-[5-benzamido-1-[4-(hydroxymethyl)cyclohexyl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-cyclohexyl-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(2-hydroxypropylsulfamoyl)benzamide;N-[1-cyclohexyl-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(2-methoxyethylsulfamoyl)benzamide;N-[6-(hydroxymethyl)-1-[4-(hydroxymethyl)cyclohexyl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide

C110H129F6N17O14S2 — CID 159249572

About N-[5-benzamido-1-[4-(hydroxymethyl)cyclohexyl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-cyclohexyl-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(2-hydroxypropylsulfamoyl)benzamide;N-[1-cyclohexyl-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(2-methoxyethylsulfamoyl)benzamide;N-[6-(hydroxymethyl)-1-[4-(hydroxymethyl)cyclohexyl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide

N-[5-benzamido-1-[4-(hydroxymethyl)cyclohexyl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-cyclohexyl-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(2-hydroxypropylsulfamoyl)benzamide;N-[1-cyclohexyl-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(2-methoxyethylsulfamoyl)benzamide;N-[6-(hydroxymethyl)-1-[4-(hydroxymethyl)cyclohexyl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide (PubChem CID 159249572) has the molecular formula C110H129F6N17O14S2 and a molecular weight of 2091.47 g/mol. Its IUPAC name is N-[5-benzamido-1-[4-(hydroxymethyl)cyclohexyl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-cyclohexyl-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(2-hydroxypropylsulfamoyl)benzamide;N-[1-cyclohexyl-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(2-methoxyethylsulfamoyl)benzamide;N-[6-(hydroxymethyl)-1-[4-(hydroxymethyl)cyclohexyl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide.

Molecular Properties

• Compound Name: N-[5-benzamido-1-[4-(hydroxymethyl)cyclohexyl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-cyclohexyl-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(2-hydroxypropylsulfamoyl)benzamide;N-[1-cyclohexyl-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(2-methoxyethylsulfamoyl)benzamide;N-[6-(hydroxymethyl)-1-[4-(hydroxymethyl)cyclohexyl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
• PubChem CID: 159249572
• Molecular Formula: C110H129F6N17O14S2
• Molecular Weight: 2091.47 g/mol
• Exact Mass: 2089.93
• IUPAC Name: N-[5-benzamido-1-[4-(hydroxymethyl)cyclohexyl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-cyclohexyl-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(2-hydroxypropylsulfamoyl)benzamide;N-[1-cyclohexyl-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(2-methoxyethylsulfamoyl)benzamide;N-[6-(hydroxymethyl)-1-[4-(hydroxymethyl)cyclohexyl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
• SMILES: CC(O)CNS(=O)(=O)c1cccc(C(=O)Nc2nc3cc(CN4CCCCC4)ccc3n2C2CCCCC2)c1.COCCNS(=O)(=O)c1cccc(C(=O)Nc2nc3cc(CN4CCCCC4)ccc3n2C2CCCCC2)c1.O=C(Nc1ccc2c(c1)nc(NC(=O)c1cccc(C(F)(F)F)c1)n2C1CCC(CO)CC1)c1ccccc1.O=C(Nc1nc2ccc(CO)cc2n1C1CCC(CO)CC1)c1cccc(C(F)(F)F)c1
• InChI: InChI=1S/C29H27F3N4O3.2C29H39N5O4S.C23H24F3N3O3/c30-29(31,32)21-8-4-7-20(15-21)27(39)35-28-34-24-16-22(33-26(38)19-5-2-1-3-6-19)11-14-25(24)36(28)23-12-9-18(17-37)10-13-23;1-38-18-15-30-39(36,37)25-12-8-9-23(20-25)28(35)32-29-31-26-19-22(21-33-16-6-3-7-17-33)13-14-27(26)34(29)24-10-4-2-5-11-24;1-21(35)19-30-39(37,38)25-12-8-9-23(18-25)28(36)32-29-31-26-17-22(20-33-15-6-3-7-16-33)13-14-27(26)34(29)24-10-4-2-5-11-24;24-23(25,26)17-3-1-2-16(11-17)21(32)28-22-27-19-9-6-15(13-31)10-20(19)29(22)18-7-4-14(12-30)5-8-18/h1-8,11,14-16,18,23,37H,9-10,12-13,17H2,(H,33,38)(H,34,35,39);8-9,12-14,19-20,24,30H,2-7,10-11,15-18,21H2,1H3,(H,31,32,35);8-9,12-14,17-18,21,24,30,35H,2-7,10-11,15-16,19-20H2,1H3,(H,31,32,36);1-3,6,9-11,14,18,30-31H,4-5,7-8,12-13H2,(H,27,28,32)
• InChIKey: KVCRRHMLTPDAPB-UHFFFAOYSA-N
• XLogP: 19.95
• TPSA: 405.75 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 24
• Rotatable Bonds: 30
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2091.47
LogP ≤ 5	19.95
H-Bond Donors ≤ 5	11
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 N-[5-benzamido-1-[4-(hydroxymethyl)cyclohexyl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-cyclohexyl-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(2-hydroxypropylsulfamoyl)benzamide;N-[1-cyclohexyl-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(2-methoxyethylsulfamoyl)benzamide;N-[6-(hydroxymethyl)-1-[4-(hydroxymethyl)cyclohexyl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide?

The IUPAC name of N-[5-benzamido-1-[4-(hydroxymethyl)cyclohexyl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-cyclohexyl-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(2-hydroxypropylsulfamoyl)benzamide;N-[1-cyclohexyl-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(2-methoxyethylsulfamoyl)benzamide;N-[6-(hydroxymethyl)-1-[4-(hydroxymethyl)cyclohexyl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide (CID 159249572) is N-[5-benzamido-1-[4-(hydroxymethyl)cyclohexyl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-cyclohexyl-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(2-hydroxypropylsulfamoyl)benzamide;N-[1-cyclohexyl-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(2-methoxyethylsulfamoyl)benzamide;N-[6-(hydroxymethyl)-1-[4-(hydroxymethyl)cyclohexyl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide.

What is the SMILES notation for N-[5-benzamido-1-[4-(hydroxymethyl)cyclohexyl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-cyclohexyl-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(2-hydroxypropylsulfamoyl)benzamide;N-[1-cyclohexyl-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(2-methoxyethylsulfamoyl)benzamide;N-[6-(hydroxymethyl)-1-[4-(hydroxymethyl)cyclohexyl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide?

The canonical SMILES for N-[5-benzamido-1-[4-(hydroxymethyl)cyclohexyl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-cyclohexyl-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(2-hydroxypropylsulfamoyl)benzamide;N-[1-cyclohexyl-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(2-methoxyethylsulfamoyl)benzamide;N-[6-(hydroxymethyl)-1-[4-(hydroxymethyl)cyclohexyl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide is CC(O)CNS(=O)(=O)c1cccc(C(=O)Nc2nc3cc(CN4CCCCC4)ccc3n2C2CCCCC2)c1.COCCNS(=O)(=O)c1cccc(C(=O)Nc2nc3cc(CN4CCCCC4)ccc3n2C2CCCCC2)c1.O=C(Nc1ccc2c(c1)nc(NC(=O)c1cccc(C(F)(F)F)c1)n2C1CCC(CO)CC1)c1ccccc1.O=C(Nc1nc2ccc(CO)cc2n1C1CCC(CO)CC1)c1cccc(C(F)(F)F)c1.

What is the InChIKey of N-[5-benzamido-1-[4-(hydroxymethyl)cyclohexyl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-cyclohexyl-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(2-hydroxypropylsulfamoyl)benzamide;N-[1-cyclohexyl-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(2-methoxyethylsulfamoyl)benzamide;N-[6-(hydroxymethyl)-1-[4-(hydroxymethyl)cyclohexyl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide?

The InChIKey is KVCRRHMLTPDAPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27F3N4O3.2C29H39N5O4S.C23H24F3N3O3/c30-29(31,32)21-8-4-7-20(15-21)27(39)35-28-34-24-16-22(33-26(38)19-5-2-1-3-6-19)11-14-25(24)36(28)23-12-9-18(17-37)10-13-23;1-38-18-15-30-39(36,37)25-12-8-9-23(20-25)28(35)32-29-31-26-19-22(21-33-16-6-3-7-17-33)13-14-27(26)34(29)24-10-4-2-5-11-24;1-21(35)19-30-39(37,38)25-12-8-9-23(18-25)28(36)32-29-31-26-17-22(20-33-15-6-3-7-16-33)13-14-27(26)34(29)24-10-4-2-5-11-24;24-23(25,26)17-3-1-2-16(11-17)21(32)28-22-27-19-9-6-15(13-31)10-20(19)29(22)18-7-4-14(12-30)5-8-18/h1-8,11,14-16,18,23,37H,9-10,12-13,17H2,(H,33,38)(H,34,35,39);8-9,12-14,19-20,24,30H,2-7,10-11,15-18,21H2,1H3,(H,31,32,35);8-9,12-14,17-18,21,24,30,35H,2-7,10-11,15-16,19-20H2,1H3,(H,31,32,36);1-3,6,9-11,14,18,30-31H,4-5,7-8,12-13H2,(H,27,28,32).

What are the key properties of N-[5-benzamido-1-[4-(hydroxymethyl)cyclohexyl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-cyclohexyl-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(2-hydroxypropylsulfamoyl)benzamide;N-[1-cyclohexyl-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(2-methoxyethylsulfamoyl)benzamide;N-[6-(hydroxymethyl)-1-[4-(hydroxymethyl)cyclohexyl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide?

N-[5-benzamido-1-[4-(hydroxymethyl)cyclohexyl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-cyclohexyl-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(2-hydroxypropylsulfamoyl)benzamide;N-[1-cyclohexyl-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(2-methoxyethylsulfamoyl)benzamide;N-[6-(hydroxymethyl)-1-[4-(hydroxymethyl)cyclohexyl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide has a molecular weight of 2091.47 g/mol, XLogP of 19.95, 30 rotatable bonds, 11 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-benzamido-1-[4-(hydroxymethyl)cyclohexyl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-cyclohexyl-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(2-hydroxypropylsulfamoyl)benzamide;N-[1-cyclohexyl-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(2-methoxyethylsulfamoyl)benzamide;N-[6-(hydroxymethyl)-1-[4-(hydroxymethyl)cyclohexyl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 159249572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).