N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-5-tert-butyl-2-methoxybenzamide;2-(4-chlorophenyl)sulfonyl-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]acetamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-5-methyl-4-(morpholin-4-ylmethyl)furan-2-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1,2,3,4-tetrahydroquinoline-6-carboxamide

C90H94ClN23O14S — CID 162185360

About N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-5-tert-butyl-2-methoxybenzamide;2-(4-chlorophenyl)sulfonyl-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]acetamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-5-methyl-4-(morpholin-4-ylmethyl)furan-2-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1,2,3,4-tetrahydroquinoline-6-carboxamide

N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-5-tert-butyl-2-methoxybenzamide;2-(4-chlorophenyl)sulfonyl-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]acetamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-5-methyl-4-(morpholin-4-ylmethyl)furan-2-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1,2,3,4-tetrahydroquinoline-6-carboxamide (PubChem CID 162185360) has the molecular formula C90H94ClN23O14S and a molecular weight of 1789.41 g/mol. Its IUPAC name is N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-5-tert-butyl-2-methoxybenzamide;2-(4-chlorophenyl)sulfonyl-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]acetamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-5-methyl-4-(morpholin-4-ylmethyl)furan-2-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1,2,3,4-tetrahydroquinoline-6-carboxamide.

Molecular Properties

• Compound Name: N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-5-tert-butyl-2-methoxybenzamide;2-(4-chlorophenyl)sulfonyl-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]acetamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-5-methyl-4-(morpholin-4-ylmethyl)furan-2-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
• PubChem CID: 162185360
• Molecular Formula: C90H94ClN23O14S
• Molecular Weight: 1789.41 g/mol
• Exact Mass: 1787.68
• IUPAC Name: N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-5-tert-butyl-2-methoxybenzamide;2-(4-chlorophenyl)sulfonyl-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]acetamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-5-methyl-4-(morpholin-4-ylmethyl)furan-2-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
• SMILES: COc1cc2nc(-c3[nH]ncc3NC(=O)CS(=O)(=O)c3ccc(Cl)cc3)[nH]c2cc1OC.COc1cc2nc(-c3[nH]ncc3NC(=O)c3cc(CN4CCOCC4)c(C)o3)[nH]c2cc1OC.COc1ccc(C(C)(C)C)cc1C(=O)Nc1cn[nH]c1-c1nc2ccccc2[nH]1.O=C(Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)c1ccc2c(c1)CCCN2
• InChI: InChI=1S/C25H27N7O2.C23H26N6O5.C22H23N5O2.C20H18ClN5O5S/c33-25(18-4-6-19-17(13-18)2-1-7-26-19)30-22-14-27-31-23(22)24-28-20-5-3-16(12-21(20)29-24)15-32-8-10-34-11-9-32;1-13-14(12-29-4-6-33-7-5-29)8-20(34-13)23(30)27-17-11-24-28-21(17)22-25-15-9-18(31-2)19(32-3)10-16(15)26-22;1-22(2,3)13-9-10-18(29-4)14(11-13)21(28)26-17-12-23-27-19(17)20-24-15-7-5-6-8-16(15)25-20;1-30-16-7-13-14(8-17(16)31-2)25-20(24-13)19-15(9-22-26-19)23-18(27)10-32(28,29)12-5-3-11(21)4-6-12/h3-6,12-14,26H,1-2,7-11,15H2,(H,27,31)(H,28,29)(H,30,33);8-11H,4-7,12H2,1-3H3,(H,24,28)(H,25,26)(H,27,30);5-12H,1-4H3,(H,23,27)(H,24,25)(H,26,28);3-9H,10H2,1-2H3,(H,22,26)(H,23,27)(H,24,25)
• InChIKey: ZPOWNSPZEDQAKJ-UHFFFAOYSA-N
• XLogP: 13.90
• TPSA: 476.24 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 25
• Rotatable Bonds: 23
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1789.41
LogP ≤ 5	13.90
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-5-tert-butyl-2-methoxybenzamide;2-(4-chlorophenyl)sulfonyl-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]acetamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-5-methyl-4-(morpholin-4-ylmethyl)furan-2-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1,2,3,4-tetrahydroquinoline-6-carboxamide?

The IUPAC name of N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-5-tert-butyl-2-methoxybenzamide;2-(4-chlorophenyl)sulfonyl-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]acetamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-5-methyl-4-(morpholin-4-ylmethyl)furan-2-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1,2,3,4-tetrahydroquinoline-6-carboxamide (CID 162185360) is N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-5-tert-butyl-2-methoxybenzamide;2-(4-chlorophenyl)sulfonyl-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]acetamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-5-methyl-4-(morpholin-4-ylmethyl)furan-2-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1,2,3,4-tetrahydroquinoline-6-carboxamide.

What is the SMILES notation for N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-5-tert-butyl-2-methoxybenzamide;2-(4-chlorophenyl)sulfonyl-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]acetamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-5-methyl-4-(morpholin-4-ylmethyl)furan-2-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1,2,3,4-tetrahydroquinoline-6-carboxamide?

The canonical SMILES for N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-5-tert-butyl-2-methoxybenzamide;2-(4-chlorophenyl)sulfonyl-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]acetamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-5-methyl-4-(morpholin-4-ylmethyl)furan-2-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1,2,3,4-tetrahydroquinoline-6-carboxamide is COc1cc2nc(-c3[nH]ncc3NC(=O)CS(=O)(=O)c3ccc(Cl)cc3)[nH]c2cc1OC.COc1cc2nc(-c3[nH]ncc3NC(=O)c3cc(CN4CCOCC4)c(C)o3)[nH]c2cc1OC.COc1ccc(C(C)(C)C)cc1C(=O)Nc1cn[nH]c1-c1nc2ccccc2[nH]1.O=C(Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)c1ccc2c(c1)CCCN2.

What is the InChIKey of N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-5-tert-butyl-2-methoxybenzamide;2-(4-chlorophenyl)sulfonyl-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]acetamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-5-methyl-4-(morpholin-4-ylmethyl)furan-2-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1,2,3,4-tetrahydroquinoline-6-carboxamide?

The InChIKey is ZPOWNSPZEDQAKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N7O2.C23H26N6O5.C22H23N5O2.C20H18ClN5O5S/c33-25(18-4-6-19-17(13-18)2-1-7-26-19)30-22-14-27-31-23(22)24-28-20-5-3-16(12-21(20)29-24)15-32-8-10-34-11-9-32;1-13-14(12-29-4-6-33-7-5-29)8-20(34-13)23(30)27-17-11-24-28-21(17)22-25-15-9-18(31-2)19(32-3)10-16(15)26-22;1-22(2,3)13-9-10-18(29-4)14(11-13)21(28)26-17-12-23-27-19(17)20-24-15-7-5-6-8-16(15)25-20;1-30-16-7-13-14(8-17(16)31-2)25-20(24-13)19-15(9-22-26-19)23-18(27)10-32(28,29)12-5-3-11(21)4-6-12/h3-6,12-14,26H,1-2,7-11,15H2,(H,27,31)(H,28,29)(H,30,33);8-11H,4-7,12H2,1-3H3,(H,24,28)(H,25,26)(H,27,30);5-12H,1-4H3,(H,23,27)(H,24,25)(H,26,28);3-9H,10H2,1-2H3,(H,22,26)(H,23,27)(H,24,25).

What are the key properties of N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-5-tert-butyl-2-methoxybenzamide;2-(4-chlorophenyl)sulfonyl-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]acetamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-5-methyl-4-(morpholin-4-ylmethyl)furan-2-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1,2,3,4-tetrahydroquinoline-6-carboxamide?

N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-5-tert-butyl-2-methoxybenzamide;2-(4-chlorophenyl)sulfonyl-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]acetamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-5-methyl-4-(morpholin-4-ylmethyl)furan-2-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1,2,3,4-tetrahydroquinoline-6-carboxamide has a molecular weight of 1789.41 g/mol, XLogP of 13.90, 23 rotatable bonds, 13 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-5-tert-butyl-2-methoxybenzamide;2-(4-chlorophenyl)sulfonyl-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]acetamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-5-methyl-4-(morpholin-4-ylmethyl)furan-2-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1,2,3,4-tetrahydroquinoline-6-carboxamide is sourced from PubChem (CID 162185360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).