2-amino-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-phenylacetamide;2,2-dimethyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-3H-1-benzofuran-7-carboxamide;3-(4-fluorophenyl)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1,2-oxazole-4-carboxamide;5-(2-methylpropyl)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1,2-oxazole-3-carboxamide;3-methylsulfonyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide

C120H126FN33O15S — CID 159440197

About 2-amino-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-phenylacetamide;2,2-dimethyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-3H-1-benzofuran-7-carboxamide;3-(4-fluorophenyl)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1,2-oxazole-4-carboxamide;5-(2-methylpropyl)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1,2-oxazole-3-carboxamide;3-methylsulfonyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide

2-amino-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-phenylacetamide;2,2-dimethyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-3H-1-benzofuran-7-carboxamide;3-(4-fluorophenyl)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1,2-oxazole-4-carboxamide;5-(2-methylpropyl)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1,2-oxazole-3-carboxamide;3-methylsulfonyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide (PubChem CID 159440197) has the molecular formula C120H126FN33O15S and a molecular weight of 2321.61 g/mol. Its IUPAC name is 2-amino-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-phenylacetamide;2,2-dimethyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-3H-1-benzofuran-7-carboxamide;3-(4-fluorophenyl)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1,2-oxazole-4-carboxamide;5-(2-methylpropyl)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1,2-oxazole-3-carboxamide;3-methylsulfonyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide.

Molecular Properties

• Compound Name: 2-amino-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-phenylacetamide;2,2-dimethyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-3H-1-benzofuran-7-carboxamide;3-(4-fluorophenyl)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1,2-oxazole-4-carboxamide;5-(2-methylpropyl)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1,2-oxazole-3-carboxamide;3-methylsulfonyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide
• PubChem CID: 159440197
• Molecular Formula: C120H126FN33O15S
• Molecular Weight: 2321.61 g/mol
• Exact Mass: 2319.98
• IUPAC Name: 2-amino-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-phenylacetamide;2,2-dimethyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-3H-1-benzofuran-7-carboxamide;3-(4-fluorophenyl)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1,2-oxazole-4-carboxamide;5-(2-methylpropyl)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1,2-oxazole-3-carboxamide;3-methylsulfonyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide
• SMILES: CC(C)Cc1cc(C(=O)Nc2cn[nH]c2-c2nc3ccc(CN4CCOCC4)cc3[nH]2)no1.CC1(C)Cc2cccc(C(=O)Nc3cn[nH]c3-c3nc4ccc(CN5CCOCC5)cc4[nH]3)c2O1.CS(=O)(=O)c1cccc(C(=O)Nc2cn[nH]c2-c2nc3ccc(CN4CCOCC4)cc3[nH]2)c1.NC(C(=O)Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)c1ccccc1.O=C(Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)c1conc1-c1ccc(F)cc1
• InChI: InChI=1S/C26H28N6O3.C25H22FN7O3.C23H27N7O3.C23H25N7O2.C23H24N6O4S/c1-26(2)13-17-4-3-5-18(23(17)35-26)25(33)30-21-14-27-31-22(21)24-28-19-7-6-16(12-20(19)29-24)15-32-8-10-34-11-9-32;26-17-4-2-16(3-5-17)22-18(14-36-32-22)25(34)30-21-12-27-31-23(21)24-28-19-6-1-15(11-20(19)29-24)13-33-7-9-35-10-8-33;1-14(2)9-16-11-19(29-33-16)23(31)27-20-12-24-28-21(20)22-25-17-4-3-15(10-18(17)26-22)13-30-5-7-32-8-6-30;24-20(16-4-2-1-3-5-16)23(31)28-19-13-25-29-21(19)22-26-17-7-6-15(12-18(17)27-22)14-30-8-10-32-11-9-30;1-34(31,32)17-4-2-3-16(12-17)23(30)27-20-13-24-28-21(20)22-25-18-6-5-15(11-19(18)26-22)14-29-7-9-33-10-8-29/h3-7,12,14H,8-11,13,15H2,1-2H3,(H,27,31)(H,28,29)(H,30,33);1-6,11-12,14H,7-10,13H2,(H,27,31)(H,28,29)(H,30,34);3-4,10-12,14H,5-9,13H2,1-2H3,(H,24,28)(H,25,26)(H,27,31);1-7,12-13,20H,8-11,14,24H2,(H,25,29)(H,26,27)(H,28,31);2-6,11-13H,7-10,14H2,1H3,(H,24,28)(H,25,26)(H,27,30)
• InChIKey: LSBMIYHKXALTQB-UHFFFAOYSA-N
• XLogP: 15.67
• TPSA: 616.10 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 33
• Rotatable Bonds: 30
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2321.61
LogP ≤ 5	15.67
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	33

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-phenylacetamide;2,2-dimethyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-3H-1-benzofuran-7-carboxamide;3-(4-fluorophenyl)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1,2-oxazole-4-carboxamide;5-(2-methylpropyl)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1,2-oxazole-3-carboxamide;3-methylsulfonyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide?

The IUPAC name of 2-amino-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-phenylacetamide;2,2-dimethyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-3H-1-benzofuran-7-carboxamide;3-(4-fluorophenyl)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1,2-oxazole-4-carboxamide;5-(2-methylpropyl)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1,2-oxazole-3-carboxamide;3-methylsulfonyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide (CID 159440197) is 2-amino-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-phenylacetamide;2,2-dimethyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-3H-1-benzofuran-7-carboxamide;3-(4-fluorophenyl)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1,2-oxazole-4-carboxamide;5-(2-methylpropyl)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1,2-oxazole-3-carboxamide;3-methylsulfonyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide.

What is the SMILES notation for 2-amino-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-phenylacetamide;2,2-dimethyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-3H-1-benzofuran-7-carboxamide;3-(4-fluorophenyl)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1,2-oxazole-4-carboxamide;5-(2-methylpropyl)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1,2-oxazole-3-carboxamide;3-methylsulfonyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide?

The canonical SMILES for 2-amino-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-phenylacetamide;2,2-dimethyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-3H-1-benzofuran-7-carboxamide;3-(4-fluorophenyl)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1,2-oxazole-4-carboxamide;5-(2-methylpropyl)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1,2-oxazole-3-carboxamide;3-methylsulfonyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide is CC(C)Cc1cc(C(=O)Nc2cn[nH]c2-c2nc3ccc(CN4CCOCC4)cc3[nH]2)no1.CC1(C)Cc2cccc(C(=O)Nc3cn[nH]c3-c3nc4ccc(CN5CCOCC5)cc4[nH]3)c2O1.CS(=O)(=O)c1cccc(C(=O)Nc2cn[nH]c2-c2nc3ccc(CN4CCOCC4)cc3[nH]2)c1.NC(C(=O)Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)c1ccccc1.O=C(Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)c1conc1-c1ccc(F)cc1.

What is the InChIKey of 2-amino-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-phenylacetamide;2,2-dimethyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-3H-1-benzofuran-7-carboxamide;3-(4-fluorophenyl)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1,2-oxazole-4-carboxamide;5-(2-methylpropyl)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1,2-oxazole-3-carboxamide;3-methylsulfonyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide?

The InChIKey is LSBMIYHKXALTQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O3.C25H22FN7O3.C23H27N7O3.C23H25N7O2.C23H24N6O4S/c1-26(2)13-17-4-3-5-18(23(17)35-26)25(33)30-21-14-27-31-22(21)24-28-19-7-6-16(12-20(19)29-24)15-32-8-10-34-11-9-32;26-17-4-2-16(3-5-17)22-18(14-36-32-22)25(34)30-21-12-27-31-23(21)24-28-19-6-1-15(11-20(19)29-24)13-33-7-9-35-10-8-33;1-14(2)9-16-11-19(29-33-16)23(31)27-20-12-24-28-21(20)22-25-17-4-3-15(10-18(17)26-22)13-30-5-7-32-8-6-30;24-20(16-4-2-1-3-5-16)23(31)28-19-13-25-29-21(19)22-26-17-7-6-15(12-18(17)27-22)14-30-8-10-32-11-9-30;1-34(31,32)17-4-2-3-16(12-17)23(30)27-20-13-24-28-21(20)22-25-18-6-5-15(11-19(18)26-22)14-29-7-9-33-10-8-29/h3-7,12,14H,8-11,13,15H2,1-2H3,(H,27,31)(H,28,29)(H,30,33);1-6,11-12,14H,7-10,13H2,(H,27,31)(H,28,29)(H,30,34);3-4,10-12,14H,5-9,13H2,1-2H3,(H,24,28)(H,25,26)(H,27,31);1-7,12-13,20H,8-11,14,24H2,(H,25,29)(H,26,27)(H,28,31);2-6,11-13H,7-10,14H2,1H3,(H,24,28)(H,25,26)(H,27,30).

What are the key properties of 2-amino-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-phenylacetamide;2,2-dimethyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-3H-1-benzofuran-7-carboxamide;3-(4-fluorophenyl)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1,2-oxazole-4-carboxamide;5-(2-methylpropyl)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1,2-oxazole-3-carboxamide;3-methylsulfonyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide?

2-amino-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-phenylacetamide;2,2-dimethyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-3H-1-benzofuran-7-carboxamide;3-(4-fluorophenyl)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1,2-oxazole-4-carboxamide;5-(2-methylpropyl)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1,2-oxazole-3-carboxamide;3-methylsulfonyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide has a molecular weight of 2321.61 g/mol, XLogP of 15.67, 30 rotatable bonds, 16 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-phenylacetamide;2,2-dimethyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-3H-1-benzofuran-7-carboxamide;3-(4-fluorophenyl)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1,2-oxazole-4-carboxamide;5-(2-methylpropyl)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1,2-oxazole-3-carboxamide;3-methylsulfonyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide is sourced from PubChem (CID 159440197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).