4-amino-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-ethoxybenzamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-ethoxy-4-nitrobenzamide;1-(4-methylphenyl)-3-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]urea;1-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-3-naphthalen-2-ylurea;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]quinoxaline-5-carboxamide

C115H114N34O16 — CID 159074129

About 4-amino-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-ethoxybenzamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-ethoxy-4-nitrobenzamide;1-(4-methylphenyl)-3-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]urea;1-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-3-naphthalen-2-ylurea;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]quinoxaline-5-carboxamide

4-amino-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-ethoxybenzamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-ethoxy-4-nitrobenzamide;1-(4-methylphenyl)-3-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]urea;1-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-3-naphthalen-2-ylurea;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]quinoxaline-5-carboxamide (PubChem CID 159074129) has the molecular formula C115H114N34O16 and a molecular weight of 2228.40 g/mol. Its IUPAC name is 4-amino-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-ethoxybenzamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-ethoxy-4-nitrobenzamide;1-(4-methylphenyl)-3-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]urea;1-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-3-naphthalen-2-ylurea;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]quinoxaline-5-carboxamide.

Molecular Properties

• Compound Name: 4-amino-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-ethoxybenzamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-ethoxy-4-nitrobenzamide;1-(4-methylphenyl)-3-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]urea;1-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-3-naphthalen-2-ylurea;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]quinoxaline-5-carboxamide
• PubChem CID: 159074129
• Molecular Formula: C115H114N34O16
• Molecular Weight: 2228.40 g/mol
• Exact Mass: 2226.92
• IUPAC Name: 4-amino-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-ethoxybenzamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-ethoxy-4-nitrobenzamide;1-(4-methylphenyl)-3-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]urea;1-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-3-naphthalen-2-ylurea;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]quinoxaline-5-carboxamide
• SMILES: CCOc1cc(N)ccc1C(=O)Nc1cn[nH]c1-c1nc2cc(OC)c(OC)cc2[nH]1.CCOc1cc([N+](=O)[O-])ccc1C(=O)Nc1cn[nH]c1-c1nc2cc(OC)c(OC)cc2[nH]1.Cc1ccc(NC(=O)Nc2cn[nH]c2-c2nc3ccc(CN4CCOCC4)cc3[nH]2)cc1.O=C(Nc1ccc2ccccc2c1)Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1.O=C(Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)c1cccc2nccnc12
• InChI: InChI=1S/C26H25N7O2.C24H22N8O2.C23H25N7O2.C21H20N6O6.C21H22N6O4/c34-26(28-20-7-6-18-3-1-2-4-19(18)14-20)31-23-15-27-32-24(23)25-29-21-8-5-17(13-22(21)30-25)16-33-9-11-35-12-10-33;33-24(16-2-1-3-18-21(16)26-7-6-25-18)30-20-13-27-31-22(20)23-28-17-5-4-15(12-19(17)29-23)14-32-8-10-34-11-9-32;1-15-2-5-17(6-3-15)25-23(31)28-20-13-24-29-21(20)22-26-18-7-4-16(12-19(18)27-22)14-30-8-10-32-11-9-30;1-4-33-16-7-11(27(29)30)5-6-12(16)21(28)25-15-10-22-26-19(15)20-23-13-8-17(31-2)18(32-3)9-14(13)24-20;1-4-31-16-7-11(22)5-6-12(16)21(28)26-15-10-23-27-19(15)20-24-13-8-17(29-2)18(30-3)9-14(13)25-20/h1-8,13-15H,9-12,16H2,(H,27,32)(H,29,30)(H2,28,31,34);1-7,12-13H,8-11,14H2,(H,27,31)(H,28,29)(H,30,33);2-7,12-13H,8-11,14H2,1H3,(H,24,29)(H,26,27)(H2,25,28,31);5-10H,4H2,1-3H3,(H,22,26)(H,23,24)(H,25,28);5-10H,4,22H2,1-3H3,(H,23,27)(H,24,25)(H,26,28)
• InChIKey: KAAPUXYUZUZNAV-UHFFFAOYSA-N
• XLogP: 18.03
• TPSA: 644.09 Ų
• H-Bond Donors: 18
• H-Bond Acceptors: 32
• Rotatable Bonds: 30
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2228.40
LogP ≤ 5	18.03
H-Bond Donors ≤ 5	18
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-ethoxybenzamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-ethoxy-4-nitrobenzamide;1-(4-methylphenyl)-3-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]urea;1-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-3-naphthalen-2-ylurea;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]quinoxaline-5-carboxamide?

The IUPAC name of 4-amino-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-ethoxybenzamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-ethoxy-4-nitrobenzamide;1-(4-methylphenyl)-3-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]urea;1-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-3-naphthalen-2-ylurea;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]quinoxaline-5-carboxamide (CID 159074129) is 4-amino-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-ethoxybenzamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-ethoxy-4-nitrobenzamide;1-(4-methylphenyl)-3-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]urea;1-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-3-naphthalen-2-ylurea;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]quinoxaline-5-carboxamide.

What is the SMILES notation for 4-amino-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-ethoxybenzamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-ethoxy-4-nitrobenzamide;1-(4-methylphenyl)-3-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]urea;1-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-3-naphthalen-2-ylurea;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]quinoxaline-5-carboxamide?

The canonical SMILES for 4-amino-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-ethoxybenzamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-ethoxy-4-nitrobenzamide;1-(4-methylphenyl)-3-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]urea;1-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-3-naphthalen-2-ylurea;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]quinoxaline-5-carboxamide is CCOc1cc(N)ccc1C(=O)Nc1cn[nH]c1-c1nc2cc(OC)c(OC)cc2[nH]1.CCOc1cc([N+](=O)[O-])ccc1C(=O)Nc1cn[nH]c1-c1nc2cc(OC)c(OC)cc2[nH]1.Cc1ccc(NC(=O)Nc2cn[nH]c2-c2nc3ccc(CN4CCOCC4)cc3[nH]2)cc1.O=C(Nc1ccc2ccccc2c1)Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1.O=C(Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)c1cccc2nccnc12.

What is the InChIKey of 4-amino-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-ethoxybenzamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-ethoxy-4-nitrobenzamide;1-(4-methylphenyl)-3-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]urea;1-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-3-naphthalen-2-ylurea;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]quinoxaline-5-carboxamide?

The InChIKey is KAAPUXYUZUZNAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N7O2.C24H22N8O2.C23H25N7O2.C21H20N6O6.C21H22N6O4/c34-26(28-20-7-6-18-3-1-2-4-19(18)14-20)31-23-15-27-32-24(23)25-29-21-8-5-17(13-22(21)30-25)16-33-9-11-35-12-10-33;33-24(16-2-1-3-18-21(16)26-7-6-25-18)30-20-13-27-31-22(20)23-28-17-5-4-15(12-19(17)29-23)14-32-8-10-34-11-9-32;1-15-2-5-17(6-3-15)25-23(31)28-20-13-24-29-21(20)22-26-18-7-4-16(12-19(18)27-22)14-30-8-10-32-11-9-30;1-4-33-16-7-11(27(29)30)5-6-12(16)21(28)25-15-10-22-26-19(15)20-23-13-8-17(31-2)18(32-3)9-14(13)24-20;1-4-31-16-7-11(22)5-6-12(16)21(28)26-15-10-23-27-19(15)20-24-13-8-17(29-2)18(30-3)9-14(13)25-20/h1-8,13-15H,9-12,16H2,(H,27,32)(H,29,30)(H2,28,31,34);1-7,12-13H,8-11,14H2,(H,27,31)(H,28,29)(H,30,33);2-7,12-13H,8-11,14H2,1H3,(H,24,29)(H,26,27)(H2,25,28,31);5-10H,4H2,1-3H3,(H,22,26)(H,23,24)(H,25,28);5-10H,4,22H2,1-3H3,(H,23,27)(H,24,25)(H,26,28).

What are the key properties of 4-amino-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-ethoxybenzamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-ethoxy-4-nitrobenzamide;1-(4-methylphenyl)-3-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]urea;1-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-3-naphthalen-2-ylurea;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]quinoxaline-5-carboxamide?

4-amino-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-ethoxybenzamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-ethoxy-4-nitrobenzamide;1-(4-methylphenyl)-3-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]urea;1-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-3-naphthalen-2-ylurea;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]quinoxaline-5-carboxamide has a molecular weight of 2228.40 g/mol, XLogP of 18.03, 30 rotatable bonds, 18 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-ethoxybenzamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-ethoxy-4-nitrobenzamide;1-(4-methylphenyl)-3-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]urea;1-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-3-naphthalen-2-ylurea;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]quinoxaline-5-carboxamide is sourced from PubChem (CID 159074129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).