N-[5-[4-bromo-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide;2,6-difluoro-N-[5-(4-oxo-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-2-yl)-1H-pyrazol-4-yl]benzamide;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]-2-phenylacetamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]quinoxaline-5-carboxamide

C127H111BrF7N39O15 — CID 158789907

About N-[5-[4-bromo-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide;2,6-difluoro-N-[5-(4-oxo-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-2-yl)-1H-pyrazol-4-yl]benzamide;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]-2-phenylacetamide;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;2,6-difluoro-N-[5-(4-oxo-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-2-yl)-1H-pyrazol-4-yl]benzamide;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]-2-phenylacetamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]quinoxaline-5-carboxamide (PubChem CID 158789907) has the molecular formula C127H111BrF7N39O15 and a molecular weight of 2636.43 g/mol. Its IUPAC name is N-[5-[4-bromo-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide;2,6-difluoro-N-[5-(4-oxo-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-2-yl)-1H-pyrazol-4-yl]benzamide;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]-2-phenylacetamide;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;2,6-difluoro-N-[5-(4-oxo-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-2-yl)-1H-pyrazol-4-yl]benzamide;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]-2-phenylacetamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]quinoxaline-5-carboxamide
• PubChem CID: 158789907
• Molecular Formula: C127H111BrF7N39O15
• Molecular Weight: 2636.43 g/mol
• Exact Mass: 2633.82
• IUPAC Name: N-[5-[4-bromo-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide;2,6-difluoro-N-[5-(4-oxo-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-2-yl)-1H-pyrazol-4-yl]benzamide;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]-2-phenylacetamide;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(Cc1ccccc1)Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)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.O=C1NCCCc2[nH]c(-c3[nH]ncc3NC(=O)c3c(F)cccc3F)nc21
• InChI: InChI=1S/2C24H22N8O2.C23H24N6O2.C21H20N6O6.C18H9BrF5N5O.C17H14F2N6O2/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;30-21(13-16-4-2-1-3-5-16)25-20-14-24-28-22(20)23-26-18-7-6-17(12-19(18)27-23)15-29-8-10-31-11-9-29;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;18-8-3-1-4-9(19)12(8)16(26)23-11-7-21-25-13(11)15-22-10-5-2-6-20-17(27)14(10)24-15/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);1-7,12,14H,8-11,13,15H2,(H,24,28)(H,25,30)(H,26,27);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);1,3-4,7H,2,5-6H2,(H,20,27)(H,21,25)(H,22,24)(H,23,26)
• InChIKey: ISDJWPFMSKBIGK-UHFFFAOYSA-N
• XLogP: 19.73
• TPSA: 707.66 Ų
• H-Bond Donors: 19
• H-Bond Acceptors: 34
• Rotatable Bonds: 30
• Heavy Atoms: 189
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2636.43
LogP ≤ 5	19.73
H-Bond Donors ≤ 5	19
H-Bond Acceptors ≤ 10	34

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;2,6-difluoro-N-[5-(4-oxo-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-2-yl)-1H-pyrazol-4-yl]benzamide;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]-2-phenylacetamide;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;2,6-difluoro-N-[5-(4-oxo-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-2-yl)-1H-pyrazol-4-yl]benzamide;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]-2-phenylacetamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]quinoxaline-5-carboxamide (CID 158789907) is N-[5-[4-bromo-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide;2,6-difluoro-N-[5-(4-oxo-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-2-yl)-1H-pyrazol-4-yl]benzamide;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]-2-phenylacetamide;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;2,6-difluoro-N-[5-(4-oxo-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-2-yl)-1H-pyrazol-4-yl]benzamide;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]-2-phenylacetamide;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;2,6-difluoro-N-[5-(4-oxo-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-2-yl)-1H-pyrazol-4-yl]benzamide;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]-2-phenylacetamide;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(Cc1ccccc1)Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)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.O=C1NCCCc2[nH]c(-c3[nH]ncc3NC(=O)c3c(F)cccc3F)nc21.

What is the InChIKey of N-[5-[4-bromo-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide;2,6-difluoro-N-[5-(4-oxo-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-2-yl)-1H-pyrazol-4-yl]benzamide;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]-2-phenylacetamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]quinoxaline-5-carboxamide?

The InChIKey is ISDJWPFMSKBIGK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H22N8O2.C23H24N6O2.C21H20N6O6.C18H9BrF5N5O.C17H14F2N6O2/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;30-21(13-16-4-2-1-3-5-16)25-20-14-24-28-22(20)23-26-18-7-6-17(12-19(18)27-23)15-29-8-10-31-11-9-29;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;18-8-3-1-4-9(19)12(8)16(26)23-11-7-21-25-13(11)15-22-10-5-2-6-20-17(27)14(10)24-15/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);1-7,12,14H,8-11,13,15H2,(H,24,28)(H,25,30)(H,26,27);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);1,3-4,7H,2,5-6H2,(H,20,27)(H,21,25)(H,22,24)(H,23,26).

What are the key properties of N-[5-[4-bromo-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide;2,6-difluoro-N-[5-(4-oxo-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-2-yl)-1H-pyrazol-4-yl]benzamide;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]-2-phenylacetamide;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;2,6-difluoro-N-[5-(4-oxo-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-2-yl)-1H-pyrazol-4-yl]benzamide;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]-2-phenylacetamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]quinoxaline-5-carboxamide has a molecular weight of 2636.43 g/mol, XLogP of 19.73, 30 rotatable bonds, 19 hydrogen bond donors, and 34 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;2,6-difluoro-N-[5-(4-oxo-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-2-yl)-1H-pyrazol-4-yl]benzamide;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]-2-phenylacetamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]quinoxaline-5-carboxamide is sourced from PubChem (CID 158789907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).