N-[5-[4-bromo-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-ethoxy-4-nitrobenzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]cinnoline-4-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]quinoxaline-5-carboxamide

C87H73BrF5N27O11 — CID 159427205

About N-[5-[4-bromo-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-ethoxy-4-nitrobenzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]cinnoline-4-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]quinoxaline-5-carboxamide

N-[5-[4-bromo-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-ethoxy-4-nitrobenzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]cinnoline-4-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]quinoxaline-5-carboxamide (PubChem CID 159427205) has the molecular formula C87H73BrF5N27O11 and a molecular weight of 1847.61 g/mol. Its IUPAC name is N-[5-[4-bromo-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-ethoxy-4-nitrobenzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]cinnoline-4-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]quinoxaline-5-carboxamide.

Molecular Properties

• Compound Name: N-[5-[4-bromo-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-ethoxy-4-nitrobenzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]cinnoline-4-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]quinoxaline-5-carboxamide
• PubChem CID: 159427205
• Molecular Formula: C87H73BrF5N27O11
• Molecular Weight: 1847.61 g/mol
• Exact Mass: 1845.51
• IUPAC Name: N-[5-[4-bromo-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-ethoxy-4-nitrobenzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]cinnoline-4-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]quinoxaline-5-carboxamide
• SMILES: CCOc1cc([N+](=O)[O-])ccc1C(=O)Nc1cn[nH]c1-c1nc2cc(OC)c(OC)cc2[nH]1.O=C(Nc1cn[nH]c1-c1nc2c(Br)cc(C(F)(F)F)cc2[nH]1)c1c(F)cccc1F.O=C(Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)c1cccc2nccnc12.O=C(Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)c1cnnc2ccccc12
• InChI: InChI=1S/2C24H22N8O2.C21H20N6O6.C18H9BrF5N5O/c33-24(16-2-1-3-18-21(16)26-7-6-25-18)30-20-13-27-31-22(20)23-28-17-5-4-15(12-19(17)29-23)14-32-8-10-34-11-9-32;33-24(17-12-25-30-18-4-2-1-3-16(17)18)29-21-13-26-31-22(21)23-27-19-6-5-15(11-20(19)28-23)14-32-7-9-34-10-8-32;1-4-33-16-7-11(27(29)30)5-6-12(16)21(28)25-15-10-22-26-19(15)20-23-13-8-17(31-2)18(32-3)9-14(13)24-20;19-8-4-7(18(22,23)24)5-11-14(8)28-16(26-11)15-12(6-25-29-15)27-17(30)13-9(20)2-1-3-10(13)21/h1-7,12-13H,8-11,14H2,(H,27,31)(H,28,29)(H,30,33);1-6,11-13H,7-10,14H2,(H,26,31)(H,27,28)(H,29,33);5-10H,4H2,1-3H3,(H,22,26)(H,23,24)(H,25,28);1-6H,(H,25,29)(H,26,28)(H,27,30)
• InChIKey: LQNBGWXZIVZKAN-UHFFFAOYSA-N
• XLogP: 14.76
• TPSA: 493.17 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 25
• Rotatable Bonds: 21
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1847.61
LogP ≤ 5	14.76
H-Bond Donors ≤ 5	12
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-[5-[4-bromo-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-ethoxy-4-nitrobenzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]cinnoline-4-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]quinoxaline-5-carboxamide?

The IUPAC name of N-[5-[4-bromo-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-ethoxy-4-nitrobenzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]cinnoline-4-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]quinoxaline-5-carboxamide (CID 159427205) is N-[5-[4-bromo-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-ethoxy-4-nitrobenzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]cinnoline-4-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]quinoxaline-5-carboxamide.

What is the SMILES notation for N-[5-[4-bromo-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-ethoxy-4-nitrobenzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]cinnoline-4-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]quinoxaline-5-carboxamide?

The canonical SMILES for N-[5-[4-bromo-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-ethoxy-4-nitrobenzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]cinnoline-4-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]quinoxaline-5-carboxamide is CCOc1cc([N+](=O)[O-])ccc1C(=O)Nc1cn[nH]c1-c1nc2cc(OC)c(OC)cc2[nH]1.O=C(Nc1cn[nH]c1-c1nc2c(Br)cc(C(F)(F)F)cc2[nH]1)c1c(F)cccc1F.O=C(Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)c1cccc2nccnc12.O=C(Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)c1cnnc2ccccc12.

What is the InChIKey of N-[5-[4-bromo-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-ethoxy-4-nitrobenzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]cinnoline-4-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]quinoxaline-5-carboxamide?

The InChIKey is LQNBGWXZIVZKAN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H22N8O2.C21H20N6O6.C18H9BrF5N5O/c33-24(16-2-1-3-18-21(16)26-7-6-25-18)30-20-13-27-31-22(20)23-28-17-5-4-15(12-19(17)29-23)14-32-8-10-34-11-9-32;33-24(17-12-25-30-18-4-2-1-3-16(17)18)29-21-13-26-31-22(21)23-27-19-6-5-15(11-20(19)28-23)14-32-7-9-34-10-8-32;1-4-33-16-7-11(27(29)30)5-6-12(16)21(28)25-15-10-22-26-19(15)20-23-13-8-17(31-2)18(32-3)9-14(13)24-20;19-8-4-7(18(22,23)24)5-11-14(8)28-16(26-11)15-12(6-25-29-15)27-17(30)13-9(20)2-1-3-10(13)21/h1-7,12-13H,8-11,14H2,(H,27,31)(H,28,29)(H,30,33);1-6,11-13H,7-10,14H2,(H,26,31)(H,27,28)(H,29,33);5-10H,4H2,1-3H3,(H,22,26)(H,23,24)(H,25,28);1-6H,(H,25,29)(H,26,28)(H,27,30).

What are the key properties of N-[5-[4-bromo-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-ethoxy-4-nitrobenzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]cinnoline-4-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]quinoxaline-5-carboxamide?

N-[5-[4-bromo-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-ethoxy-4-nitrobenzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]cinnoline-4-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]quinoxaline-5-carboxamide has a molecular weight of 1847.61 g/mol, XLogP of 14.76, 21 rotatable bonds, 12 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[4-bromo-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-ethoxy-4-nitrobenzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]cinnoline-4-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]quinoxaline-5-carboxamide is sourced from PubChem (CID 159427205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).