N-[1-cyclohexyl-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(2-methoxyethylsulfamoyl)benzamide;N-[5-(ethylcarbamoylamino)-1-[4-(hydroxymethyl)cyclohexyl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(4-hydroxycyclohexyl)-5-[(2-oxopyrrolidin-1-yl)methyl]benzimidazol-2-yl]-3-nitrobenzamide;N-[1-[4-(hydroxymethyl)cyclohexyl]-5-(propan-2-ylcarbamoylamino)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide

C105H124F6N20O15S — CID 158056013

About N-[1-cyclohexyl-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(2-methoxyethylsulfamoyl)benzamide;N-[5-(ethylcarbamoylamino)-1-[4-(hydroxymethyl)cyclohexyl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(4-hydroxycyclohexyl)-5-[(2-oxopyrrolidin-1-yl)methyl]benzimidazol-2-yl]-3-nitrobenzamide;N-[1-[4-(hydroxymethyl)cyclohexyl]-5-(propan-2-ylcarbamoylamino)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide

N-[1-cyclohexyl-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(2-methoxyethylsulfamoyl)benzamide;N-[5-(ethylcarbamoylamino)-1-[4-(hydroxymethyl)cyclohexyl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(4-hydroxycyclohexyl)-5-[(2-oxopyrrolidin-1-yl)methyl]benzimidazol-2-yl]-3-nitrobenzamide;N-[1-[4-(hydroxymethyl)cyclohexyl]-5-(propan-2-ylcarbamoylamino)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide (PubChem CID 158056013) has the molecular formula C105H124F6N20O15S and a molecular weight of 2052.33 g/mol. Its IUPAC name is N-[1-cyclohexyl-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(2-methoxyethylsulfamoyl)benzamide;N-[5-(ethylcarbamoylamino)-1-[4-(hydroxymethyl)cyclohexyl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(4-hydroxycyclohexyl)-5-[(2-oxopyrrolidin-1-yl)methyl]benzimidazol-2-yl]-3-nitrobenzamide;N-[1-[4-(hydroxymethyl)cyclohexyl]-5-(propan-2-ylcarbamoylamino)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide.

Molecular Properties

• Compound Name: N-[1-cyclohexyl-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(2-methoxyethylsulfamoyl)benzamide;N-[5-(ethylcarbamoylamino)-1-[4-(hydroxymethyl)cyclohexyl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(4-hydroxycyclohexyl)-5-[(2-oxopyrrolidin-1-yl)methyl]benzimidazol-2-yl]-3-nitrobenzamide;N-[1-[4-(hydroxymethyl)cyclohexyl]-5-(propan-2-ylcarbamoylamino)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
• PubChem CID: 158056013
• Molecular Formula: C105H124F6N20O15S
• Molecular Weight: 2052.33 g/mol
• Exact Mass: 2050.92
• IUPAC Name: N-[1-cyclohexyl-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(2-methoxyethylsulfamoyl)benzamide;N-[5-(ethylcarbamoylamino)-1-[4-(hydroxymethyl)cyclohexyl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(4-hydroxycyclohexyl)-5-[(2-oxopyrrolidin-1-yl)methyl]benzimidazol-2-yl]-3-nitrobenzamide;N-[1-[4-(hydroxymethyl)cyclohexyl]-5-(propan-2-ylcarbamoylamino)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
• SMILES: CC(C)NC(=O)Nc1ccc2c(c1)nc(NC(=O)c1cccc(C(F)(F)F)c1)n2C1CCC(CO)CC1.CCNC(=O)Nc1ccc2c(c1)nc(NC(=O)c1cccc(C(F)(F)F)c1)n2C1CCC(CO)CC1.COCCNS(=O)(=O)c1cccc(C(=O)Nc2nc3cc(CN4CCCCC4)ccc3n2C2CCCCC2)c1.O=C(Nc1nc2cc(CN3CCCC3=O)ccc2n1C1CCC(O)CC1)c1cccc([N+](=O)[O-])c1
• InChI: InChI=1S/C29H39N5O4S.C26H30F3N5O3.C25H28F3N5O3.C25H27N5O5/c1-38-18-15-30-39(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;1-15(2)30-25(37)31-19-8-11-22-21(13-19)32-24(34(22)20-9-6-16(14-35)7-10-20)33-23(36)17-4-3-5-18(12-17)26(27,28)29;1-2-29-24(36)30-18-8-11-21-20(13-18)31-23(33(21)19-9-6-15(14-34)7-10-19)32-22(35)16-4-3-5-17(12-16)25(26,27)28;31-20-9-7-18(8-10-20)29-22-11-6-16(15-28-12-2-5-23(28)32)13-21(22)26-25(29)27-24(33)17-3-1-4-19(14-17)30(34)35/h8-9,12-14,19-20,24,30H,2-7,10-11,15-18,21H2,1H3,(H,31,32,35);3-5,8,11-13,15-16,20,35H,6-7,9-10,14H2,1-2H3,(H2,30,31,37)(H,32,33,36);3-5,8,11-13,15,19,34H,2,6-7,9-10,14H2,1H3,(H2,29,30,36)(H,31,32,35);1,3-4,6,11,13-14,18,20,31H,2,5,7-10,12,15H2,(H,26,27,33)
• InChIKey: FKBGEQGCGBQXHE-UHFFFAOYSA-N
• XLogP: 19.23
• TPSA: 452.72 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 24
• Rotatable Bonds: 28
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2052.33
LogP ≤ 5	19.23
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[1-cyclohexyl-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(2-methoxyethylsulfamoyl)benzamide;N-[5-(ethylcarbamoylamino)-1-[4-(hydroxymethyl)cyclohexyl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(4-hydroxycyclohexyl)-5-[(2-oxopyrrolidin-1-yl)methyl]benzimidazol-2-yl]-3-nitrobenzamide;N-[1-[4-(hydroxymethyl)cyclohexyl]-5-(propan-2-ylcarbamoylamino)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide?

The IUPAC name of N-[1-cyclohexyl-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(2-methoxyethylsulfamoyl)benzamide;N-[5-(ethylcarbamoylamino)-1-[4-(hydroxymethyl)cyclohexyl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(4-hydroxycyclohexyl)-5-[(2-oxopyrrolidin-1-yl)methyl]benzimidazol-2-yl]-3-nitrobenzamide;N-[1-[4-(hydroxymethyl)cyclohexyl]-5-(propan-2-ylcarbamoylamino)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide (CID 158056013) is N-[1-cyclohexyl-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(2-methoxyethylsulfamoyl)benzamide;N-[5-(ethylcarbamoylamino)-1-[4-(hydroxymethyl)cyclohexyl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(4-hydroxycyclohexyl)-5-[(2-oxopyrrolidin-1-yl)methyl]benzimidazol-2-yl]-3-nitrobenzamide;N-[1-[4-(hydroxymethyl)cyclohexyl]-5-(propan-2-ylcarbamoylamino)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide.

What is the SMILES notation for N-[1-cyclohexyl-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(2-methoxyethylsulfamoyl)benzamide;N-[5-(ethylcarbamoylamino)-1-[4-(hydroxymethyl)cyclohexyl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(4-hydroxycyclohexyl)-5-[(2-oxopyrrolidin-1-yl)methyl]benzimidazol-2-yl]-3-nitrobenzamide;N-[1-[4-(hydroxymethyl)cyclohexyl]-5-(propan-2-ylcarbamoylamino)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide?

The canonical SMILES for N-[1-cyclohexyl-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(2-methoxyethylsulfamoyl)benzamide;N-[5-(ethylcarbamoylamino)-1-[4-(hydroxymethyl)cyclohexyl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(4-hydroxycyclohexyl)-5-[(2-oxopyrrolidin-1-yl)methyl]benzimidazol-2-yl]-3-nitrobenzamide;N-[1-[4-(hydroxymethyl)cyclohexyl]-5-(propan-2-ylcarbamoylamino)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide is CC(C)NC(=O)Nc1ccc2c(c1)nc(NC(=O)c1cccc(C(F)(F)F)c1)n2C1CCC(CO)CC1.CCNC(=O)Nc1ccc2c(c1)nc(NC(=O)c1cccc(C(F)(F)F)c1)n2C1CCC(CO)CC1.COCCNS(=O)(=O)c1cccc(C(=O)Nc2nc3cc(CN4CCCCC4)ccc3n2C2CCCCC2)c1.O=C(Nc1nc2cc(CN3CCCC3=O)ccc2n1C1CCC(O)CC1)c1cccc([N+](=O)[O-])c1.

What is the InChIKey of N-[1-cyclohexyl-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(2-methoxyethylsulfamoyl)benzamide;N-[5-(ethylcarbamoylamino)-1-[4-(hydroxymethyl)cyclohexyl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(4-hydroxycyclohexyl)-5-[(2-oxopyrrolidin-1-yl)methyl]benzimidazol-2-yl]-3-nitrobenzamide;N-[1-[4-(hydroxymethyl)cyclohexyl]-5-(propan-2-ylcarbamoylamino)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide?

The InChIKey is FKBGEQGCGBQXHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H39N5O4S.C26H30F3N5O3.C25H28F3N5O3.C25H27N5O5/c1-38-18-15-30-39(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;1-15(2)30-25(37)31-19-8-11-22-21(13-19)32-24(34(22)20-9-6-16(14-35)7-10-20)33-23(36)17-4-3-5-18(12-17)26(27,28)29;1-2-29-24(36)30-18-8-11-21-20(13-18)31-23(33(21)19-9-6-15(14-34)7-10-19)32-22(35)16-4-3-5-17(12-16)25(26,27)28;31-20-9-7-18(8-10-20)29-22-11-6-16(15-28-12-2-5-23(28)32)13-21(22)26-25(29)27-24(33)17-3-1-4-19(14-17)30(34)35/h8-9,12-14,19-20,24,30H,2-7,10-11,15-18,21H2,1H3,(H,31,32,35);3-5,8,11-13,15-16,20,35H,6-7,9-10,14H2,1-2H3,(H2,30,31,37)(H,32,33,36);3-5,8,11-13,15,19,34H,2,6-7,9-10,14H2,1H3,(H2,29,30,36)(H,31,32,35);1,3-4,6,11,13-14,18,20,31H,2,5,7-10,12,15H2,(H,26,27,33).

What are the key properties of N-[1-cyclohexyl-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(2-methoxyethylsulfamoyl)benzamide;N-[5-(ethylcarbamoylamino)-1-[4-(hydroxymethyl)cyclohexyl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(4-hydroxycyclohexyl)-5-[(2-oxopyrrolidin-1-yl)methyl]benzimidazol-2-yl]-3-nitrobenzamide;N-[1-[4-(hydroxymethyl)cyclohexyl]-5-(propan-2-ylcarbamoylamino)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide?

N-[1-cyclohexyl-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(2-methoxyethylsulfamoyl)benzamide;N-[5-(ethylcarbamoylamino)-1-[4-(hydroxymethyl)cyclohexyl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(4-hydroxycyclohexyl)-5-[(2-oxopyrrolidin-1-yl)methyl]benzimidazol-2-yl]-3-nitrobenzamide;N-[1-[4-(hydroxymethyl)cyclohexyl]-5-(propan-2-ylcarbamoylamino)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide has a molecular weight of 2052.33 g/mol, XLogP of 19.23, 28 rotatable bonds, 12 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-cyclohexyl-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(2-methoxyethylsulfamoyl)benzamide;N-[5-(ethylcarbamoylamino)-1-[4-(hydroxymethyl)cyclohexyl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(4-hydroxycyclohexyl)-5-[(2-oxopyrrolidin-1-yl)methyl]benzimidazol-2-yl]-3-nitrobenzamide;N-[1-[4-(hydroxymethyl)cyclohexyl]-5-(propan-2-ylcarbamoylamino)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 158056013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).