N-[1-(4-hydroxycyclohexyl)-5-(2-morpholin-4-ylethoxy)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(4-hydroxycyclohexyl)-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-nitrobenzamide;N-[1-(4-hydroxycyclohexyl)-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;3-nitro-N-[1-phenyl-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]benzamide

C106H118F6N18O13 — CID 159559622

About N-[1-(4-hydroxycyclohexyl)-5-(2-morpholin-4-ylethoxy)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(4-hydroxycyclohexyl)-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-nitrobenzamide;N-[1-(4-hydroxycyclohexyl)-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;3-nitro-N-[1-phenyl-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]benzamide

N-[1-(4-hydroxycyclohexyl)-5-(2-morpholin-4-ylethoxy)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(4-hydroxycyclohexyl)-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-nitrobenzamide;N-[1-(4-hydroxycyclohexyl)-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;3-nitro-N-[1-phenyl-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]benzamide (PubChem CID 159559622) has the molecular formula C106H118F6N18O13 and a molecular weight of 1966.21 g/mol. Its IUPAC name is N-[1-(4-hydroxycyclohexyl)-5-(2-morpholin-4-ylethoxy)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(4-hydroxycyclohexyl)-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-nitrobenzamide;N-[1-(4-hydroxycyclohexyl)-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;3-nitro-N-[1-phenyl-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]benzamide.

Molecular Properties

• Compound Name: N-[1-(4-hydroxycyclohexyl)-5-(2-morpholin-4-ylethoxy)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(4-hydroxycyclohexyl)-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-nitrobenzamide;N-[1-(4-hydroxycyclohexyl)-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;3-nitro-N-[1-phenyl-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]benzamide
• PubChem CID: 159559622
• Molecular Formula: C106H118F6N18O13
• Molecular Weight: 1966.21 g/mol
• Exact Mass: 1964.90
• IUPAC Name: N-[1-(4-hydroxycyclohexyl)-5-(2-morpholin-4-ylethoxy)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(4-hydroxycyclohexyl)-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-nitrobenzamide;N-[1-(4-hydroxycyclohexyl)-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;3-nitro-N-[1-phenyl-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]benzamide
• SMILES: O=C(Nc1nc2cc(CN3CCCCC3)ccc2n1-c1ccccc1)c1cccc([N+](=O)[O-])c1.O=C(Nc1nc2cc(CN3CCCCC3)ccc2n1C1CCC(O)CC1)c1cccc(C(F)(F)F)c1.O=C(Nc1nc2cc(CN3CCCCC3)ccc2n1C1CCC(O)CC1)c1cccc([N+](=O)[O-])c1.O=C(Nc1nc2cc(OCCN3CCOCC3)ccc2n1C1CCC(O)CC1)c1cccc(C(F)(F)F)c1
• InChI: InChI=1S/C27H31F3N4O4.C27H31F3N4O2.C26H31N5O4.C26H25N5O3/c28-27(29,30)19-3-1-2-18(16-19)25(36)32-26-31-23-17-22(38-15-12-33-10-13-37-14-11-33)8-9-24(23)34(26)20-4-6-21(35)7-5-20;28-27(29,30)20-6-4-5-19(16-20)25(36)32-26-31-23-15-18(17-33-13-2-1-3-14-33)7-12-24(23)34(26)21-8-10-22(35)11-9-21;32-22-10-8-20(9-11-22)30-24-12-7-18(17-29-13-2-1-3-14-29)15-23(24)27-26(30)28-25(33)19-5-4-6-21(16-19)31(34)35;32-25(20-8-7-11-22(17-20)31(33)34)28-26-27-23-16-19(18-29-14-5-2-6-15-29)12-13-24(23)30(26)21-9-3-1-4-10-21/h1-3,8-9,16-17,20-21,35H,4-7,10-15H2,(H,31,32,36);4-7,12,15-16,21-22,35H,1-3,8-11,13-14,17H2,(H,31,32,36);4-7,12,15-16,20,22,32H,1-3,8-11,13-14,17H2,(H,27,28,33);1,3-4,7-13,16-17H,2,5-6,14-15,18H2,(H,27,28,32)
• InChIKey: MGLADTGLICREQU-UHFFFAOYSA-N
• XLogP: 20.09
• TPSA: 366.07 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 25
• Rotatable Bonds: 24
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1966.21
LogP ≤ 5	20.09
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'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-(4-hydroxycyclohexyl)-5-(2-morpholin-4-ylethoxy)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(4-hydroxycyclohexyl)-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-nitrobenzamide;N-[1-(4-hydroxycyclohexyl)-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;3-nitro-N-[1-phenyl-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]benzamide?

The IUPAC name of N-[1-(4-hydroxycyclohexyl)-5-(2-morpholin-4-ylethoxy)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(4-hydroxycyclohexyl)-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-nitrobenzamide;N-[1-(4-hydroxycyclohexyl)-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;3-nitro-N-[1-phenyl-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]benzamide (CID 159559622) is N-[1-(4-hydroxycyclohexyl)-5-(2-morpholin-4-ylethoxy)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(4-hydroxycyclohexyl)-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-nitrobenzamide;N-[1-(4-hydroxycyclohexyl)-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;3-nitro-N-[1-phenyl-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]benzamide.

What is the SMILES notation for N-[1-(4-hydroxycyclohexyl)-5-(2-morpholin-4-ylethoxy)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(4-hydroxycyclohexyl)-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-nitrobenzamide;N-[1-(4-hydroxycyclohexyl)-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;3-nitro-N-[1-phenyl-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]benzamide?

The canonical SMILES for N-[1-(4-hydroxycyclohexyl)-5-(2-morpholin-4-ylethoxy)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(4-hydroxycyclohexyl)-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-nitrobenzamide;N-[1-(4-hydroxycyclohexyl)-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;3-nitro-N-[1-phenyl-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]benzamide is O=C(Nc1nc2cc(CN3CCCCC3)ccc2n1-c1ccccc1)c1cccc([N+](=O)[O-])c1.O=C(Nc1nc2cc(CN3CCCCC3)ccc2n1C1CCC(O)CC1)c1cccc(C(F)(F)F)c1.O=C(Nc1nc2cc(CN3CCCCC3)ccc2n1C1CCC(O)CC1)c1cccc([N+](=O)[O-])c1.O=C(Nc1nc2cc(OCCN3CCOCC3)ccc2n1C1CCC(O)CC1)c1cccc(C(F)(F)F)c1.

What is the InChIKey of N-[1-(4-hydroxycyclohexyl)-5-(2-morpholin-4-ylethoxy)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(4-hydroxycyclohexyl)-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-nitrobenzamide;N-[1-(4-hydroxycyclohexyl)-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;3-nitro-N-[1-phenyl-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]benzamide?

The InChIKey is MGLADTGLICREQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31F3N4O4.C27H31F3N4O2.C26H31N5O4.C26H25N5O3/c28-27(29,30)19-3-1-2-18(16-19)25(36)32-26-31-23-17-22(38-15-12-33-10-13-37-14-11-33)8-9-24(23)34(26)20-4-6-21(35)7-5-20;28-27(29,30)20-6-4-5-19(16-20)25(36)32-26-31-23-15-18(17-33-13-2-1-3-14-33)7-12-24(23)34(26)21-8-10-22(35)11-9-21;32-22-10-8-20(9-11-22)30-24-12-7-18(17-29-13-2-1-3-14-29)15-23(24)27-26(30)28-25(33)19-5-4-6-21(16-19)31(34)35;32-25(20-8-7-11-22(17-20)31(33)34)28-26-27-23-16-19(18-29-14-5-2-6-15-29)12-13-24(23)30(26)21-9-3-1-4-10-21/h1-3,8-9,16-17,20-21,35H,4-7,10-15H2,(H,31,32,36);4-7,12,15-16,21-22,35H,1-3,8-11,13-14,17H2,(H,31,32,36);4-7,12,15-16,20,22,32H,1-3,8-11,13-14,17H2,(H,27,28,33);1,3-4,7-13,16-17H,2,5-6,14-15,18H2,(H,27,28,32).

What are the key properties of N-[1-(4-hydroxycyclohexyl)-5-(2-morpholin-4-ylethoxy)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(4-hydroxycyclohexyl)-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-nitrobenzamide;N-[1-(4-hydroxycyclohexyl)-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;3-nitro-N-[1-phenyl-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]benzamide?

N-[1-(4-hydroxycyclohexyl)-5-(2-morpholin-4-ylethoxy)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(4-hydroxycyclohexyl)-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-nitrobenzamide;N-[1-(4-hydroxycyclohexyl)-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;3-nitro-N-[1-phenyl-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]benzamide has a molecular weight of 1966.21 g/mol, XLogP of 20.09, 24 rotatable bonds, 7 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(4-hydroxycyclohexyl)-5-(2-morpholin-4-ylethoxy)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(4-hydroxycyclohexyl)-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-nitrobenzamide;N-[1-(4-hydroxycyclohexyl)-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;3-nitro-N-[1-phenyl-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]benzamide is sourced from PubChem (CID 159559622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).