4-chloro-2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;1-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-[(4-fluorophenyl)methyl]urea;2-fluoro-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-5-(trifluoromethyl)benzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-5-phenyl-1,3-oxazole-4-carboxamide

C91H85ClF5N25O11 — CID 159356005

About 4-chloro-2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;1-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-[(4-fluorophenyl)methyl]urea;2-fluoro-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-5-(trifluoromethyl)benzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-5-phenyl-1,3-oxazole-4-carboxamide

4-chloro-2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;1-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-[(4-fluorophenyl)methyl]urea;2-fluoro-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-5-(trifluoromethyl)benzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-5-phenyl-1,3-oxazole-4-carboxamide (PubChem CID 159356005) has the molecular formula C91H85ClF5N25O11 and a molecular weight of 1835.29 g/mol. Its IUPAC name is 4-chloro-2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;1-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-[(4-fluorophenyl)methyl]urea;2-fluoro-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-5-(trifluoromethyl)benzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-5-phenyl-1,3-oxazole-4-carboxamide.

Molecular Properties

• Compound Name: 4-chloro-2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;1-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-[(4-fluorophenyl)methyl]urea;2-fluoro-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-5-(trifluoromethyl)benzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-5-phenyl-1,3-oxazole-4-carboxamide
• PubChem CID: 159356005
• Molecular Formula: C91H85ClF5N25O11
• Molecular Weight: 1835.29 g/mol
• Exact Mass: 1833.65
• IUPAC Name: 4-chloro-2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;1-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-[(4-fluorophenyl)methyl]urea;2-fluoro-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-5-(trifluoromethyl)benzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-5-phenyl-1,3-oxazole-4-carboxamide
• SMILES: COc1cc(Cl)ccc1C(=O)Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1.COc1cc2nc(-c3[nH]ncc3NC(=O)NCc3ccc(F)cc3)[nH]c2cc1OC.O=C(Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)c1cc(C(F)(F)F)ccc1F.O=C(Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)c1ncoc1-c1ccccc1
• InChI: InChI=1S/C25H23N7O3.C23H23ClN6O3.C23H20F4N6O2.C20H19FN6O3/c33-25(22-23(35-15-26-22)17-4-2-1-3-5-17)30-20-13-27-31-21(20)24-28-18-7-6-16(12-19(18)29-24)14-32-8-10-34-11-9-32;1-32-20-11-15(24)3-4-16(20)23(31)28-19-12-25-29-21(19)22-26-17-5-2-14(10-18(17)27-22)13-30-6-8-33-9-7-30;24-16-3-2-14(23(25,26)27)10-15(16)22(34)31-19-11-28-32-20(19)21-29-17-4-1-13(9-18(17)30-21)12-33-5-7-35-8-6-33;1-29-16-7-13-14(8-17(16)30-2)25-19(24-13)18-15(10-23-27-18)26-20(28)22-9-11-3-5-12(21)6-4-11/h1-7,12-13,15H,8-11,14H2,(H,27,31)(H,28,29)(H,30,33);2-5,10-12H,6-9,13H2,1H3,(H,25,29)(H,26,27)(H,28,31);1-4,9-11H,5-8,12H2,(H,28,32)(H,29,30)(H,31,34);3-8,10H,9H2,1-2H3,(H,23,27)(H,24,25)(H2,22,26,28)
• InChIKey: LHXRNAUKJRGGOR-UHFFFAOYSA-N
• XLogP: 15.02
• TPSA: 449.00 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 23
• Rotatable Bonds: 23
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1835.29
LogP ≤ 5	15.02
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;1-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-[(4-fluorophenyl)methyl]urea;2-fluoro-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-5-(trifluoromethyl)benzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-5-phenyl-1,3-oxazole-4-carboxamide?

The IUPAC name of 4-chloro-2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;1-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-[(4-fluorophenyl)methyl]urea;2-fluoro-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-5-(trifluoromethyl)benzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-5-phenyl-1,3-oxazole-4-carboxamide (CID 159356005) is 4-chloro-2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;1-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-[(4-fluorophenyl)methyl]urea;2-fluoro-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-5-(trifluoromethyl)benzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-5-phenyl-1,3-oxazole-4-carboxamide.

What is the SMILES notation for 4-chloro-2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;1-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-[(4-fluorophenyl)methyl]urea;2-fluoro-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-5-(trifluoromethyl)benzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-5-phenyl-1,3-oxazole-4-carboxamide?

The canonical SMILES for 4-chloro-2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;1-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-[(4-fluorophenyl)methyl]urea;2-fluoro-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-5-(trifluoromethyl)benzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-5-phenyl-1,3-oxazole-4-carboxamide is COc1cc(Cl)ccc1C(=O)Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1.COc1cc2nc(-c3[nH]ncc3NC(=O)NCc3ccc(F)cc3)[nH]c2cc1OC.O=C(Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)c1cc(C(F)(F)F)ccc1F.O=C(Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)c1ncoc1-c1ccccc1.

What is the InChIKey of 4-chloro-2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;1-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-[(4-fluorophenyl)methyl]urea;2-fluoro-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-5-(trifluoromethyl)benzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-5-phenyl-1,3-oxazole-4-carboxamide?

The InChIKey is LHXRNAUKJRGGOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N7O3.C23H23ClN6O3.C23H20F4N6O2.C20H19FN6O3/c33-25(22-23(35-15-26-22)17-4-2-1-3-5-17)30-20-13-27-31-21(20)24-28-18-7-6-16(12-19(18)29-24)14-32-8-10-34-11-9-32;1-32-20-11-15(24)3-4-16(20)23(31)28-19-12-25-29-21(19)22-26-17-5-2-14(10-18(17)27-22)13-30-6-8-33-9-7-30;24-16-3-2-14(23(25,26)27)10-15(16)22(34)31-19-11-28-32-20(19)21-29-17-4-1-13(9-18(17)30-21)12-33-5-7-35-8-6-33;1-29-16-7-13-14(8-17(16)30-2)25-19(24-13)18-15(10-23-27-18)26-20(28)22-9-11-3-5-12(21)6-4-11/h1-7,12-13,15H,8-11,14H2,(H,27,31)(H,28,29)(H,30,33);2-5,10-12H,6-9,13H2,1H3,(H,25,29)(H,26,27)(H,28,31);1-4,9-11H,5-8,12H2,(H,28,32)(H,29,30)(H,31,34);3-8,10H,9H2,1-2H3,(H,23,27)(H,24,25)(H2,22,26,28).

What are the key properties of 4-chloro-2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;1-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-[(4-fluorophenyl)methyl]urea;2-fluoro-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-5-(trifluoromethyl)benzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-5-phenyl-1,3-oxazole-4-carboxamide?

4-chloro-2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;1-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-[(4-fluorophenyl)methyl]urea;2-fluoro-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-5-(trifluoromethyl)benzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-5-phenyl-1,3-oxazole-4-carboxamide has a molecular weight of 1835.29 g/mol, XLogP of 15.02, 23 rotatable bonds, 13 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;1-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-[(4-fluorophenyl)methyl]urea;2-fluoro-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-5-(trifluoromethyl)benzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-5-phenyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 159356005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).