N-[5-(4-chloro-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-difluorobenzamide;2,6-difluoro-N-[5-(5-fluoro-4-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-(4,5,6,7-tetrafluoro-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide;N-[5-(5,6-dimethyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-4-methylbenzamide;2,6-dimethyl-N-[5-[6-(2-pyrrolidin-1-ylethoxy)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide

C97H76ClF11N26O6 — CID 159561457

About N-[5-(4-chloro-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-difluorobenzamide;2,6-difluoro-N-[5-(5-fluoro-4-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-(4,5,6,7-tetrafluoro-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide;N-[5-(5,6-dimethyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-4-methylbenzamide;2,6-dimethyl-N-[5-[6-(2-pyrrolidin-1-ylethoxy)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide

N-[5-(4-chloro-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-difluorobenzamide;2,6-difluoro-N-[5-(5-fluoro-4-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-(4,5,6,7-tetrafluoro-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide;N-[5-(5,6-dimethyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-4-methylbenzamide;2,6-dimethyl-N-[5-[6-(2-pyrrolidin-1-ylethoxy)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide (PubChem CID 159561457) has the molecular formula C97H76ClF11N26O6 and a molecular weight of 1946.28 g/mol. Its IUPAC name is N-[5-(4-chloro-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-difluorobenzamide;2,6-difluoro-N-[5-(5-fluoro-4-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-(4,5,6,7-tetrafluoro-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide;N-[5-(5,6-dimethyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-4-methylbenzamide;2,6-dimethyl-N-[5-[6-(2-pyrrolidin-1-ylethoxy)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide.

Molecular Properties

• Compound Name: N-[5-(4-chloro-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-difluorobenzamide;2,6-difluoro-N-[5-(5-fluoro-4-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-(4,5,6,7-tetrafluoro-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide;N-[5-(5,6-dimethyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-4-methylbenzamide;2,6-dimethyl-N-[5-[6-(2-pyrrolidin-1-ylethoxy)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide
• PubChem CID: 159561457
• Molecular Formula: C97H76ClF11N26O6
• Molecular Weight: 1946.28 g/mol
• Exact Mass: 1944.60
• IUPAC Name: N-[5-(4-chloro-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-difluorobenzamide;2,6-difluoro-N-[5-(5-fluoro-4-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-(4,5,6,7-tetrafluoro-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide;N-[5-(5,6-dimethyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-4-methylbenzamide;2,6-dimethyl-N-[5-[6-(2-pyrrolidin-1-ylethoxy)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide
• SMILES: Cc1c(F)ccc2[nH]c(-c3[nH]ncc3NC(=O)c3c(F)cccc3F)nc12.Cc1ccc(C(=O)Nc2cn[nH]c2-c2nc3cc(C)c(C)cc3[nH]2)cc1.Cc1cccc(C)c1C(=O)Nc1cn[nH]c1-c1nc2ccc(OCCN3CCCC3)cc2[nH]1.O=C(Nc1cn[nH]c1-c1nc2c(Cl)cccc2[nH]1)c1c(F)cccc1F.O=C(Nc1cn[nH]c1-c1nc2c(F)c(F)c(F)c(F)c2[nH]1)c1c(F)cccc1F
• InChI: InChI=1S/C25H28N6O2.C20H19N5O.C18H12F3N5O.C17H10ClF2N5O.C17H7F6N5O/c1-16-6-5-7-17(2)22(16)25(32)29-21-15-26-30-23(21)24-27-19-9-8-18(14-20(19)28-24)33-13-12-31-10-3-4-11-31;1-11-4-6-14(7-5-11)20(26)24-17-10-21-25-18(17)19-22-15-8-12(2)13(3)9-16(15)23-19;1-8-9(19)5-6-12-15(8)25-17(23-12)16-13(7-22-26-16)24-18(27)14-10(20)3-2-4-11(14)21;18-8-3-1-6-11-14(8)24-16(22-11)15-12(7-21-25-15)23-17(26)13-9(19)4-2-5-10(13)20;18-5-2-1-3-6(19)8(5)17(29)25-7-4-24-28-13(7)16-26-14-11(22)9(20)10(21)12(23)15(14)27-16/h5-9,14-15H,3-4,10-13H2,1-2H3,(H,26,30)(H,27,28)(H,29,32);4-10H,1-3H3,(H,21,25)(H,22,23)(H,24,26);2-7H,1H3,(H,22,26)(H,23,25)(H,24,27);1-7H,(H,21,25)(H,22,24)(H,23,26);1-4H,(H,24,28)(H,25,29)(H,26,27)
• InChIKey: MGRDGSJSISHOMV-UHFFFAOYSA-N
• XLogP: 20.54
• TPSA: 444.77 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 17
• Rotatable Bonds: 19
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1946.28
LogP ≤ 5	20.54
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-chloro-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-difluorobenzamide;2,6-difluoro-N-[5-(5-fluoro-4-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-(4,5,6,7-tetrafluoro-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide;N-[5-(5,6-dimethyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-4-methylbenzamide;2,6-dimethyl-N-[5-[6-(2-pyrrolidin-1-ylethoxy)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide?

The IUPAC name of N-[5-(4-chloro-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-difluorobenzamide;2,6-difluoro-N-[5-(5-fluoro-4-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-(4,5,6,7-tetrafluoro-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide;N-[5-(5,6-dimethyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-4-methylbenzamide;2,6-dimethyl-N-[5-[6-(2-pyrrolidin-1-ylethoxy)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide (CID 159561457) is N-[5-(4-chloro-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-difluorobenzamide;2,6-difluoro-N-[5-(5-fluoro-4-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-(4,5,6,7-tetrafluoro-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide;N-[5-(5,6-dimethyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-4-methylbenzamide;2,6-dimethyl-N-[5-[6-(2-pyrrolidin-1-ylethoxy)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide.

What is the SMILES notation for N-[5-(4-chloro-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-difluorobenzamide;2,6-difluoro-N-[5-(5-fluoro-4-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-(4,5,6,7-tetrafluoro-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide;N-[5-(5,6-dimethyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-4-methylbenzamide;2,6-dimethyl-N-[5-[6-(2-pyrrolidin-1-ylethoxy)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide?

The canonical SMILES for N-[5-(4-chloro-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-difluorobenzamide;2,6-difluoro-N-[5-(5-fluoro-4-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-(4,5,6,7-tetrafluoro-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide;N-[5-(5,6-dimethyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-4-methylbenzamide;2,6-dimethyl-N-[5-[6-(2-pyrrolidin-1-ylethoxy)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide is Cc1c(F)ccc2[nH]c(-c3[nH]ncc3NC(=O)c3c(F)cccc3F)nc12.Cc1ccc(C(=O)Nc2cn[nH]c2-c2nc3cc(C)c(C)cc3[nH]2)cc1.Cc1cccc(C)c1C(=O)Nc1cn[nH]c1-c1nc2ccc(OCCN3CCCC3)cc2[nH]1.O=C(Nc1cn[nH]c1-c1nc2c(Cl)cccc2[nH]1)c1c(F)cccc1F.O=C(Nc1cn[nH]c1-c1nc2c(F)c(F)c(F)c(F)c2[nH]1)c1c(F)cccc1F.

What is the InChIKey of N-[5-(4-chloro-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-difluorobenzamide;2,6-difluoro-N-[5-(5-fluoro-4-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-(4,5,6,7-tetrafluoro-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide;N-[5-(5,6-dimethyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-4-methylbenzamide;2,6-dimethyl-N-[5-[6-(2-pyrrolidin-1-ylethoxy)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide?

The InChIKey is MGRDGSJSISHOMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O2.C20H19N5O.C18H12F3N5O.C17H10ClF2N5O.C17H7F6N5O/c1-16-6-5-7-17(2)22(16)25(32)29-21-15-26-30-23(21)24-27-19-9-8-18(14-20(19)28-24)33-13-12-31-10-3-4-11-31;1-11-4-6-14(7-5-11)20(26)24-17-10-21-25-18(17)19-22-15-8-12(2)13(3)9-16(15)23-19;1-8-9(19)5-6-12-15(8)25-17(23-12)16-13(7-22-26-16)24-18(27)14-10(20)3-2-4-11(14)21;18-8-3-1-6-11-14(8)24-16(22-11)15-12(7-21-25-15)23-17(26)13-9(19)4-2-5-10(13)20;18-5-2-1-3-6(19)8(5)17(29)25-7-4-24-28-13(7)16-26-14-11(22)9(20)10(21)12(23)15(14)27-16/h5-9,14-15H,3-4,10-13H2,1-2H3,(H,26,30)(H,27,28)(H,29,32);4-10H,1-3H3,(H,21,25)(H,22,23)(H,24,26);2-7H,1H3,(H,22,26)(H,23,25)(H,24,27);1-7H,(H,21,25)(H,22,24)(H,23,26);1-4H,(H,24,28)(H,25,29)(H,26,27).

What are the key properties of N-[5-(4-chloro-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-difluorobenzamide;2,6-difluoro-N-[5-(5-fluoro-4-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-(4,5,6,7-tetrafluoro-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide;N-[5-(5,6-dimethyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-4-methylbenzamide;2,6-dimethyl-N-[5-[6-(2-pyrrolidin-1-ylethoxy)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide?

N-[5-(4-chloro-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-difluorobenzamide;2,6-difluoro-N-[5-(5-fluoro-4-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-(4,5,6,7-tetrafluoro-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide;N-[5-(5,6-dimethyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-4-methylbenzamide;2,6-dimethyl-N-[5-[6-(2-pyrrolidin-1-ylethoxy)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide has a molecular weight of 1946.28 g/mol, XLogP of 20.54, 19 rotatable bonds, 15 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(4-chloro-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-difluorobenzamide;2,6-difluoro-N-[5-(5-fluoro-4-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-(4,5,6,7-tetrafluoro-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide;N-[5-(5,6-dimethyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-4-methylbenzamide;2,6-dimethyl-N-[5-[6-(2-pyrrolidin-1-ylethoxy)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide is sourced from PubChem (CID 159561457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).