2-chloro-5-methylsulfanyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methoxy-5-morpholin-4-ylbenzamide;(2S)-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-(methylamino)-2-phenylacetamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-5-(piperidin-1-ylmethyl)furan-2-carboxamide;2-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide

C112H117ClF3N31O17S — CID 157393088

About 2-chloro-5-methylsulfanyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methoxy-5-morpholin-4-ylbenzamide;(2S)-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-(methylamino)-2-phenylacetamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-5-(piperidin-1-ylmethyl)furan-2-carboxamide;2-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide

2-chloro-5-methylsulfanyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methoxy-5-morpholin-4-ylbenzamide;(2S)-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-(methylamino)-2-phenylacetamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-5-(piperidin-1-ylmethyl)furan-2-carboxamide;2-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide (PubChem CID 157393088) has the molecular formula C112H117ClF3N31O17S and a molecular weight of 2293.88 g/mol. Its IUPAC name is 2-chloro-5-methylsulfanyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methoxy-5-morpholin-4-ylbenzamide;(2S)-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-(methylamino)-2-phenylacetamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-5-(piperidin-1-ylmethyl)furan-2-carboxamide;2-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

• Compound Name: 2-chloro-5-methylsulfanyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methoxy-5-morpholin-4-ylbenzamide;(2S)-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-(methylamino)-2-phenylacetamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-5-(piperidin-1-ylmethyl)furan-2-carboxamide;2-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
• PubChem CID: 157393088
• Molecular Formula: C112H117ClF3N31O17S
• Molecular Weight: 2293.88 g/mol
• Exact Mass: 2291.86
• IUPAC Name: 2-chloro-5-methylsulfanyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methoxy-5-morpholin-4-ylbenzamide;(2S)-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-(methylamino)-2-phenylacetamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-5-(piperidin-1-ylmethyl)furan-2-carboxamide;2-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
• SMILES: CN[C@H](C(=O)Nc1cn[nH]c1-c1nc2cc(OC)c(OC)cc2[nH]1)c1ccccc1.COc1cc2nc(-c3[nH]ncc3NC(=O)c3cc(N4CCOCC4)ccc3OC)[nH]c2cc1OC.COc1cc2nc(-c3[nH]ncc3NC(=O)c3ccc(CN4CCCCC4)o3)[nH]c2cc1OC.CSc1ccc(Cl)c(C(=O)Nc2cn[nH]c2-c2nc3ccc(CN4CCOCC4)cc3[nH]2)c1.Cc1nc(C(=O)Nc2cn[nH]c2-c2nc3ccc(CN4CCOCC4)cc3[nH]2)c(C(F)(F)F)o1
• InChI: InChI=1S/C24H26N6O5.C23H23ClN6O2S.C23H26N6O4.C21H20F3N7O3.C21H22N6O3/c1-32-19-5-4-14(30-6-8-35-9-7-30)10-15(19)24(31)28-18-13-25-29-22(18)23-26-16-11-20(33-2)21(34-3)12-17(16)27-23;1-33-15-3-4-17(24)16(11-15)23(31)28-20-12-25-29-21(20)22-26-18-5-2-14(10-19(18)27-22)13-30-6-8-32-9-7-30;1-31-19-10-15-16(11-20(19)32-2)26-22(25-15)21-17(12-24-28-21)27-23(30)18-7-6-14(33-18)13-29-8-4-3-5-9-29;1-11-26-17(18(34-11)21(22,23)24)20(32)29-15-9-25-30-16(15)19-27-13-3-2-12(8-14(13)28-19)10-31-4-6-33-7-5-31;1-22-18(12-7-5-4-6-8-12)21(28)26-15-11-23-27-19(15)20-24-13-9-16(29-2)17(30-3)10-14(13)25-20/h4-5,10-13H,6-9H2,1-3H3,(H,25,29)(H,26,27)(H,28,31);2-5,10-12H,6-9,13H2,1H3,(H,25,29)(H,26,27)(H,28,31);6-7,10-12H,3-5,8-9,13H2,1-2H3,(H,24,28)(H,25,26)(H,27,30);2-3,8-9H,4-7,10H2,1H3,(H,25,30)(H,27,28)(H,29,32);4-11,18,22H,1-3H3,(H,23,27)(H,24,25)(H,26,28)/t;;;;18-/m....0/s1
• InChIKey: BMGAQKZHRRABMQ-PFXFJQGWSA-N
• XLogP: 17.50
• TPSA: 588.76 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 34
• Rotatable Bonds: 32
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2293.88
LogP ≤ 5	17.50
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methylsulfanyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methoxy-5-morpholin-4-ylbenzamide;(2S)-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-(methylamino)-2-phenylacetamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-5-(piperidin-1-ylmethyl)furan-2-carboxamide;2-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?

The IUPAC name of 2-chloro-5-methylsulfanyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methoxy-5-morpholin-4-ylbenzamide;(2S)-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-(methylamino)-2-phenylacetamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-5-(piperidin-1-ylmethyl)furan-2-carboxamide;2-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide (CID 157393088) is 2-chloro-5-methylsulfanyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methoxy-5-morpholin-4-ylbenzamide;(2S)-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-(methylamino)-2-phenylacetamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-5-(piperidin-1-ylmethyl)furan-2-carboxamide;2-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide.

What is the SMILES notation for 2-chloro-5-methylsulfanyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methoxy-5-morpholin-4-ylbenzamide;(2S)-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-(methylamino)-2-phenylacetamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-5-(piperidin-1-ylmethyl)furan-2-carboxamide;2-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?

The canonical SMILES for 2-chloro-5-methylsulfanyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methoxy-5-morpholin-4-ylbenzamide;(2S)-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-(methylamino)-2-phenylacetamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-5-(piperidin-1-ylmethyl)furan-2-carboxamide;2-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide is CN[C@H](C(=O)Nc1cn[nH]c1-c1nc2cc(OC)c(OC)cc2[nH]1)c1ccccc1.COc1cc2nc(-c3[nH]ncc3NC(=O)c3cc(N4CCOCC4)ccc3OC)[nH]c2cc1OC.COc1cc2nc(-c3[nH]ncc3NC(=O)c3ccc(CN4CCCCC4)o3)[nH]c2cc1OC.CSc1ccc(Cl)c(C(=O)Nc2cn[nH]c2-c2nc3ccc(CN4CCOCC4)cc3[nH]2)c1.Cc1nc(C(=O)Nc2cn[nH]c2-c2nc3ccc(CN4CCOCC4)cc3[nH]2)c(C(F)(F)F)o1.

What is the InChIKey of 2-chloro-5-methylsulfanyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methoxy-5-morpholin-4-ylbenzamide;(2S)-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-(methylamino)-2-phenylacetamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-5-(piperidin-1-ylmethyl)furan-2-carboxamide;2-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?

The InChIKey is BMGAQKZHRRABMQ-PFXFJQGWSA-N. The full InChI is InChI=1S/C24H26N6O5.C23H23ClN6O2S.C23H26N6O4.C21H20F3N7O3.C21H22N6O3/c1-32-19-5-4-14(30-6-8-35-9-7-30)10-15(19)24(31)28-18-13-25-29-22(18)23-26-16-11-20(33-2)21(34-3)12-17(16)27-23;1-33-15-3-4-17(24)16(11-15)23(31)28-20-12-25-29-21(20)22-26-18-5-2-14(10-19(18)27-22)13-30-6-8-32-9-7-30;1-31-19-10-15-16(11-20(19)32-2)26-22(25-15)21-17(12-24-28-21)27-23(30)18-7-6-14(33-18)13-29-8-4-3-5-9-29;1-11-26-17(18(34-11)21(22,23)24)20(32)29-15-9-25-30-16(15)19-27-13-3-2-12(8-14(13)28-19)10-31-4-6-33-7-5-31;1-22-18(12-7-5-4-6-8-12)21(28)26-15-11-23-27-19(15)20-24-13-9-16(29-2)17(30-3)10-14(13)25-20/h4-5,10-13H,6-9H2,1-3H3,(H,25,29)(H,26,27)(H,28,31);2-5,10-12H,6-9,13H2,1H3,(H,25,29)(H,26,27)(H,28,31);6-7,10-12H,3-5,8-9,13H2,1-2H3,(H,24,28)(H,25,26)(H,27,30);2-3,8-9H,4-7,10H2,1H3,(H,25,30)(H,27,28)(H,29,32);4-11,18,22H,1-3H3,(H,23,27)(H,24,25)(H,26,28)/t;;;;18-/m....0/s1.

What are the key properties of 2-chloro-5-methylsulfanyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methoxy-5-morpholin-4-ylbenzamide;(2S)-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-(methylamino)-2-phenylacetamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-5-(piperidin-1-ylmethyl)furan-2-carboxamide;2-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?

2-chloro-5-methylsulfanyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methoxy-5-morpholin-4-ylbenzamide;(2S)-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-(methylamino)-2-phenylacetamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-5-(piperidin-1-ylmethyl)furan-2-carboxamide;2-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 2293.88 g/mol, XLogP of 17.50, 32 rotatable bonds, 16 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-5-methylsulfanyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methoxy-5-morpholin-4-ylbenzamide;(2S)-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-(methylamino)-2-phenylacetamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-5-(piperidin-1-ylmethyl)furan-2-carboxamide;2-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 157393088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).