N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-4-(2-chloroethyl)benzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-4-(difluoromethoxy)benzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-(pyrrolidin-1-ylmethyl)benzamide;2,6-difluoro-N-[5-[6-(pyrrolidin-1-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-(5-phenyl-4,5-dihydro-1H-imidazol-2-yl)-1H-pyrazol-4-yl]acetamide

C95H86ClF4N27O6 — CID 159361052

About N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-4-(2-chloroethyl)benzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-4-(difluoromethoxy)benzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-(pyrrolidin-1-ylmethyl)benzamide;2,6-difluoro-N-[5-[6-(pyrrolidin-1-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-(5-phenyl-4,5-dihydro-1H-imidazol-2-yl)-1H-pyrazol-4-yl]acetamide

N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-4-(2-chloroethyl)benzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-4-(difluoromethoxy)benzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-(pyrrolidin-1-ylmethyl)benzamide;2,6-difluoro-N-[5-[6-(pyrrolidin-1-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-(5-phenyl-4,5-dihydro-1H-imidazol-2-yl)-1H-pyrazol-4-yl]acetamide (PubChem CID 159361052) has the molecular formula C95H86ClF4N27O6 and a molecular weight of 1813.36 g/mol. Its IUPAC name is N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-4-(2-chloroethyl)benzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-4-(difluoromethoxy)benzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-(pyrrolidin-1-ylmethyl)benzamide;2,6-difluoro-N-[5-[6-(pyrrolidin-1-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-(5-phenyl-4,5-dihydro-1H-imidazol-2-yl)-1H-pyrazol-4-yl]acetamide.

Molecular Properties

• Compound Name: N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-4-(2-chloroethyl)benzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-4-(difluoromethoxy)benzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-(pyrrolidin-1-ylmethyl)benzamide;2,6-difluoro-N-[5-[6-(pyrrolidin-1-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-(5-phenyl-4,5-dihydro-1H-imidazol-2-yl)-1H-pyrazol-4-yl]acetamide
• PubChem CID: 159361052
• Molecular Formula: C95H86ClF4N27O6
• Molecular Weight: 1813.36 g/mol
• Exact Mass: 1811.69
• IUPAC Name: N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-4-(2-chloroethyl)benzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-4-(difluoromethoxy)benzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-(pyrrolidin-1-ylmethyl)benzamide;2,6-difluoro-N-[5-[6-(pyrrolidin-1-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-(5-phenyl-4,5-dihydro-1H-imidazol-2-yl)-1H-pyrazol-4-yl]acetamide
• SMILES: CC(=O)Nc1cn[nH]c1C1=NCC(c2ccccc2)N1.O=C(Nc1cn[nH]c1-c1nc2ccc(CN3CCCC3)cc2[nH]1)c1c(F)cccc1F.O=C(Nc1cn[nH]c1-c1nc2ccccc2[nH]1)c1ccc(CCCl)cc1.O=C(Nc1cn[nH]c1-c1nc2ccccc2[nH]1)c1ccc(OC(F)F)cc1.O=C(Nc1cn[nH]c1-c1nc2ccccc2[nH]1)c1cccc(CN2CCCC2)c1
• InChI: InChI=1S/C22H20F2N6O.C22H22N6O.C19H16ClN5O.C18H13F2N5O2.C14H15N5O/c23-14-4-3-5-15(24)19(14)22(31)28-18-11-25-29-20(18)21-26-16-7-6-13(10-17(16)27-21)12-30-8-1-2-9-30;29-22(16-7-5-6-15(12-16)14-28-10-3-4-11-28)26-19-13-23-27-20(19)21-24-17-8-1-2-9-18(17)25-21;20-10-9-12-5-7-13(8-6-12)19(26)24-16-11-21-25-17(16)18-22-14-3-1-2-4-15(14)23-18;19-18(20)27-11-7-5-10(6-8-11)17(26)24-14-9-21-25-15(14)16-22-12-3-1-2-4-13(12)23-16;1-9(20)17-12-8-16-19-13(12)14-15-7-11(18-14)10-5-3-2-4-6-10/h3-7,10-11H,1-2,8-9,12H2,(H,25,29)(H,26,27)(H,28,31);1-2,5-9,12-13H,3-4,10-11,14H2,(H,23,27)(H,24,25)(H,26,29);1-8,11H,9-10H2,(H,21,25)(H,22,23)(H,24,26);1-9,18H,(H,21,25)(H,22,23)(H,24,26);2-6,8,11H,7H2,1H3,(H,15,18)(H,16,19)(H,17,20)
• InChIKey: LINUNAGISSFMDH-UHFFFAOYSA-N
• XLogP: 17.13
• TPSA: 443.72 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 19
• Rotatable Bonds: 23
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1813.36
LogP ≤ 5	17.13
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-4-(2-chloroethyl)benzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-4-(difluoromethoxy)benzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-(pyrrolidin-1-ylmethyl)benzamide;2,6-difluoro-N-[5-[6-(pyrrolidin-1-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-(5-phenyl-4,5-dihydro-1H-imidazol-2-yl)-1H-pyrazol-4-yl]acetamide?

The IUPAC name of N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-4-(2-chloroethyl)benzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-4-(difluoromethoxy)benzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-(pyrrolidin-1-ylmethyl)benzamide;2,6-difluoro-N-[5-[6-(pyrrolidin-1-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-(5-phenyl-4,5-dihydro-1H-imidazol-2-yl)-1H-pyrazol-4-yl]acetamide (CID 159361052) is N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-4-(2-chloroethyl)benzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-4-(difluoromethoxy)benzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-(pyrrolidin-1-ylmethyl)benzamide;2,6-difluoro-N-[5-[6-(pyrrolidin-1-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-(5-phenyl-4,5-dihydro-1H-imidazol-2-yl)-1H-pyrazol-4-yl]acetamide.

What is the SMILES notation for N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-4-(2-chloroethyl)benzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-4-(difluoromethoxy)benzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-(pyrrolidin-1-ylmethyl)benzamide;2,6-difluoro-N-[5-[6-(pyrrolidin-1-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-(5-phenyl-4,5-dihydro-1H-imidazol-2-yl)-1H-pyrazol-4-yl]acetamide?

The canonical SMILES for N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-4-(2-chloroethyl)benzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-4-(difluoromethoxy)benzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-(pyrrolidin-1-ylmethyl)benzamide;2,6-difluoro-N-[5-[6-(pyrrolidin-1-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-(5-phenyl-4,5-dihydro-1H-imidazol-2-yl)-1H-pyrazol-4-yl]acetamide is CC(=O)Nc1cn[nH]c1C1=NCC(c2ccccc2)N1.O=C(Nc1cn[nH]c1-c1nc2ccc(CN3CCCC3)cc2[nH]1)c1c(F)cccc1F.O=C(Nc1cn[nH]c1-c1nc2ccccc2[nH]1)c1ccc(CCCl)cc1.O=C(Nc1cn[nH]c1-c1nc2ccccc2[nH]1)c1ccc(OC(F)F)cc1.O=C(Nc1cn[nH]c1-c1nc2ccccc2[nH]1)c1cccc(CN2CCCC2)c1.

What is the InChIKey of N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-4-(2-chloroethyl)benzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-4-(difluoromethoxy)benzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-(pyrrolidin-1-ylmethyl)benzamide;2,6-difluoro-N-[5-[6-(pyrrolidin-1-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-(5-phenyl-4,5-dihydro-1H-imidazol-2-yl)-1H-pyrazol-4-yl]acetamide?

The InChIKey is LINUNAGISSFMDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2N6O.C22H22N6O.C19H16ClN5O.C18H13F2N5O2.C14H15N5O/c23-14-4-3-5-15(24)19(14)22(31)28-18-11-25-29-20(18)21-26-16-7-6-13(10-17(16)27-21)12-30-8-1-2-9-30;29-22(16-7-5-6-15(12-16)14-28-10-3-4-11-28)26-19-13-23-27-20(19)21-24-17-8-1-2-9-18(17)25-21;20-10-9-12-5-7-13(8-6-12)19(26)24-16-11-21-25-17(16)18-22-14-3-1-2-4-15(14)23-18;19-18(20)27-11-7-5-10(6-8-11)17(26)24-14-9-21-25-15(14)16-22-12-3-1-2-4-13(12)23-16;1-9(20)17-12-8-16-19-13(12)14-15-7-11(18-14)10-5-3-2-4-6-10/h3-7,10-11H,1-2,8-9,12H2,(H,25,29)(H,26,27)(H,28,31);1-2,5-9,12-13H,3-4,10-11,14H2,(H,23,27)(H,24,25)(H,26,29);1-8,11H,9-10H2,(H,21,25)(H,22,23)(H,24,26);1-9,18H,(H,21,25)(H,22,23)(H,24,26);2-6,8,11H,7H2,1H3,(H,15,18)(H,16,19)(H,17,20).

What are the key properties of N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-4-(2-chloroethyl)benzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-4-(difluoromethoxy)benzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-(pyrrolidin-1-ylmethyl)benzamide;2,6-difluoro-N-[5-[6-(pyrrolidin-1-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-(5-phenyl-4,5-dihydro-1H-imidazol-2-yl)-1H-pyrazol-4-yl]acetamide?

N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-4-(2-chloroethyl)benzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-4-(difluoromethoxy)benzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-(pyrrolidin-1-ylmethyl)benzamide;2,6-difluoro-N-[5-[6-(pyrrolidin-1-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-(5-phenyl-4,5-dihydro-1H-imidazol-2-yl)-1H-pyrazol-4-yl]acetamide has a molecular weight of 1813.36 g/mol, XLogP of 17.13, 23 rotatable bonds, 15 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-4-(2-chloroethyl)benzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-4-(difluoromethoxy)benzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-(pyrrolidin-1-ylmethyl)benzamide;2,6-difluoro-N-[5-[6-(pyrrolidin-1-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-(5-phenyl-4,5-dihydro-1H-imidazol-2-yl)-1H-pyrazol-4-yl]acetamide is sourced from PubChem (CID 159361052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).