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]-1H-indole-7-carboxamide;2,6-difluoro-N-[5-[4-(4-methylpiperazine-1-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[6-(pyrrolidin-1-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;1-[5-(5-phenyl-1H-imidazol-2-yl)-1H-pyrazol-4-yl]propan-2-one

C116H98ClF6N33O8 — CID 157197830

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]-1H-indole-7-carboxamide;2,6-difluoro-N-[5-[4-(4-methylpiperazine-1-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[6-(pyrrolidin-1-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;1-[5-(5-phenyl-1H-imidazol-2-yl)-1H-pyrazol-4-yl]propan-2-one

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]-1H-indole-7-carboxamide;2,6-difluoro-N-[5-[4-(4-methylpiperazine-1-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[6-(pyrrolidin-1-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;1-[5-(5-phenyl-1H-imidazol-2-yl)-1H-pyrazol-4-yl]propan-2-one (PubChem CID 157197830) has the molecular formula C116H98ClF6N33O8 and a molecular weight of 2231.72 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]-1H-indole-7-carboxamide;2,6-difluoro-N-[5-[4-(4-methylpiperazine-1-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[6-(pyrrolidin-1-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;1-[5-(5-phenyl-1H-imidazol-2-yl)-1H-pyrazol-4-yl]propan-2-one.

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]-1H-indole-7-carboxamide;2,6-difluoro-N-[5-[4-(4-methylpiperazine-1-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[6-(pyrrolidin-1-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;1-[5-(5-phenyl-1H-imidazol-2-yl)-1H-pyrazol-4-yl]propan-2-one
• PubChem CID: 157197830
• Molecular Formula: C116H98ClF6N33O8
• Molecular Weight: 2231.72 g/mol
• Exact Mass: 2229.79
• 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]-1H-indole-7-carboxamide;2,6-difluoro-N-[5-[4-(4-methylpiperazine-1-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[6-(pyrrolidin-1-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;1-[5-(5-phenyl-1H-imidazol-2-yl)-1H-pyrazol-4-yl]propan-2-one
• SMILES: CC(=O)Cc1cn[nH]c1-c1ncc(-c2ccccc2)[nH]1.CN1CCN(C(=O)c2cccc3[nH]c(-c4[nH]ncc4NC(=O)c4c(F)cccc4F)nc23)CC1.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)c1cccc2cc[nH]c12
• InChI: InChI=1S/C23H21F2N7O2.C22H20F2N6O.C19H16ClN5O.C19H14N6O.C18H13F2N5O2.C15H14N4O/c1-31-8-10-32(11-9-31)23(34)13-4-2-7-16-19(13)29-21(27-16)20-17(12-26-30-20)28-22(33)18-14(24)5-3-6-15(18)25;23-14-4-3-5-15(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;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;26-19(12-5-3-4-11-8-9-20-16(11)12)24-15-10-21-25-17(15)18-22-13-6-1-2-7-14(13)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;1-10(20)7-12-8-17-19-14(12)15-16-9-13(18-15)11-5-3-2-4-6-11/h2-7,12H,8-11H2,1H3,(H,26,30)(H,27,29)(H,28,33);3-7,10-11H,1-2,8-9,12H2,(H,25,29)(H,26,27)(H,28,31);1-8,11H,9-10H2,(H,21,25)(H,22,23)(H,24,26);1-10,20H,(H,21,25)(H,22,23)(H,24,26);1-9,18H,(H,21,25)(H,22,23)(H,24,26);2-6,8-9H,7H2,1H3,(H,16,18)(H,17,19)
• InChIKey: AQLLJFSNAQGNFS-UHFFFAOYSA-N
• XLogP: 21.03
• TPSA: 558.54 Ų
• H-Bond Donors: 18
• H-Bond Acceptors: 22
• Rotatable Bonds: 26
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2231.72
LogP ≤ 5	21.03
H-Bond Donors ≤ 5	18
H-Bond Acceptors ≤ 10	22

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]-1H-indole-7-carboxamide;2,6-difluoro-N-[5-[4-(4-methylpiperazine-1-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[6-(pyrrolidin-1-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;1-[5-(5-phenyl-1H-imidazol-2-yl)-1H-pyrazol-4-yl]propan-2-one?

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]-1H-indole-7-carboxamide;2,6-difluoro-N-[5-[4-(4-methylpiperazine-1-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[6-(pyrrolidin-1-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;1-[5-(5-phenyl-1H-imidazol-2-yl)-1H-pyrazol-4-yl]propan-2-one (CID 157197830) 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]-1H-indole-7-carboxamide;2,6-difluoro-N-[5-[4-(4-methylpiperazine-1-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[6-(pyrrolidin-1-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;1-[5-(5-phenyl-1H-imidazol-2-yl)-1H-pyrazol-4-yl]propan-2-one.

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]-1H-indole-7-carboxamide;2,6-difluoro-N-[5-[4-(4-methylpiperazine-1-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[6-(pyrrolidin-1-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;1-[5-(5-phenyl-1H-imidazol-2-yl)-1H-pyrazol-4-yl]propan-2-one?

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]-1H-indole-7-carboxamide;2,6-difluoro-N-[5-[4-(4-methylpiperazine-1-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[6-(pyrrolidin-1-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;1-[5-(5-phenyl-1H-imidazol-2-yl)-1H-pyrazol-4-yl]propan-2-one is CC(=O)Cc1cn[nH]c1-c1ncc(-c2ccccc2)[nH]1.CN1CCN(C(=O)c2cccc3[nH]c(-c4[nH]ncc4NC(=O)c4c(F)cccc4F)nc23)CC1.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)c1cccc2cc[nH]c12.

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]-1H-indole-7-carboxamide;2,6-difluoro-N-[5-[4-(4-methylpiperazine-1-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[6-(pyrrolidin-1-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;1-[5-(5-phenyl-1H-imidazol-2-yl)-1H-pyrazol-4-yl]propan-2-one?

The InChIKey is AQLLJFSNAQGNFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F2N7O2.C22H20F2N6O.C19H16ClN5O.C19H14N6O.C18H13F2N5O2.C15H14N4O/c1-31-8-10-32(11-9-31)23(34)13-4-2-7-16-19(13)29-21(27-16)20-17(12-26-30-20)28-22(33)18-14(24)5-3-6-15(18)25;23-14-4-3-5-15(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;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;26-19(12-5-3-4-11-8-9-20-16(11)12)24-15-10-21-25-17(15)18-22-13-6-1-2-7-14(13)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;1-10(20)7-12-8-17-19-14(12)15-16-9-13(18-15)11-5-3-2-4-6-11/h2-7,12H,8-11H2,1H3,(H,26,30)(H,27,29)(H,28,33);3-7,10-11H,1-2,8-9,12H2,(H,25,29)(H,26,27)(H,28,31);1-8,11H,9-10H2,(H,21,25)(H,22,23)(H,24,26);1-10,20H,(H,21,25)(H,22,23)(H,24,26);1-9,18H,(H,21,25)(H,22,23)(H,24,26);2-6,8-9H,7H2,1H3,(H,16,18)(H,17,19).

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]-1H-indole-7-carboxamide;2,6-difluoro-N-[5-[4-(4-methylpiperazine-1-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[6-(pyrrolidin-1-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;1-[5-(5-phenyl-1H-imidazol-2-yl)-1H-pyrazol-4-yl]propan-2-one?

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]-1H-indole-7-carboxamide;2,6-difluoro-N-[5-[4-(4-methylpiperazine-1-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[6-(pyrrolidin-1-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;1-[5-(5-phenyl-1H-imidazol-2-yl)-1H-pyrazol-4-yl]propan-2-one has a molecular weight of 2231.72 g/mol, XLogP of 21.03, 26 rotatable bonds, 18 hydrogen bond donors, and 22 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]-1H-indole-7-carboxamide;2,6-difluoro-N-[5-[4-(4-methylpiperazine-1-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[6-(pyrrolidin-1-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;1-[5-(5-phenyl-1H-imidazol-2-yl)-1H-pyrazol-4-yl]propan-2-one is sourced from PubChem (CID 157197830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).