4-amino-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-ethoxybenzamide;1-(4-chlorophenyl)-3-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]urea;1-(2,6-difluorophenyl)-3-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]urea;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-(methoxymethyl)-4-nitrobenzamide;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

C136H132ClF2N41O18 — CID 161178857

About 4-amino-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-ethoxybenzamide;1-(4-chlorophenyl)-3-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]urea;1-(2,6-difluorophenyl)-3-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]urea;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-(methoxymethyl)-4-nitrobenzamide;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;1-(4-chlorophenyl)-3-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]urea;1-(2,6-difluorophenyl)-3-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]urea;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-(methoxymethyl)-4-nitrobenzamide;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 161178857) has the molecular formula C136H132ClF2N41O18 and a molecular weight of 2702.27 g/mol. Its IUPAC name is 4-amino-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-ethoxybenzamide;1-(4-chlorophenyl)-3-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]urea;1-(2,6-difluorophenyl)-3-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]urea;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-(methoxymethyl)-4-nitrobenzamide;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;1-(4-chlorophenyl)-3-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]urea;1-(2,6-difluorophenyl)-3-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]urea;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-(methoxymethyl)-4-nitrobenzamide;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: 161178857
• Molecular Formula: C136H132ClF2N41O18
• Molecular Weight: 2702.27 g/mol
• Exact Mass: 2700.03
• IUPAC Name: 4-amino-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-ethoxybenzamide;1-(4-chlorophenyl)-3-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]urea;1-(2,6-difluorophenyl)-3-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]urea;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-(methoxymethyl)-4-nitrobenzamide;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.COCc1cc([N+](=O)[O-])ccc1C(=O)Nc1cn[nH]c1-c1nc2cc(OC)c(OC)cc2[nH]1.O=C(Nc1ccc(Cl)cc1)Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1.O=C(Nc1ccc2ccccc2c1)Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1.O=C(Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)Nc1c(F)cccc1F.O=C(Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)c1cccc2nccnc12
• InChI: InChI=1S/C26H25N7O2.C24H22N8O2.C22H22ClN7O2.C22H21F2N7O2.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;23-15-2-4-16(5-3-15)25-22(31)28-19-12-24-29-20(19)21-26-17-6-1-14(11-18(17)27-21)13-30-7-9-32-10-8-30;23-14-2-1-3-15(24)19(14)29-22(32)28-18-11-25-30-20(18)21-26-16-5-4-13(10-17(16)27-21)12-31-6-8-33-9-7-31;1-31-10-11-6-12(27(29)30)4-5-13(11)21(28)25-16-9-22-26-19(16)20-23-14-7-17(32-2)18(33-3)8-15(14)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);1-6,11-12H,7-10,13H2,(H,24,29)(H,26,27)(H2,25,28,31);1-5,10-11H,6-9,12H2,(H,25,30)(H,26,27)(H2,28,29,32);4-9H,10H2,1-3H3,(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: USEFYICDLSKLIR-UHFFFAOYSA-N
• XLogP: 21.83
• TPSA: 755.05 Ų
• H-Bond Donors: 22
• H-Bond Acceptors: 37
• Rotatable Bonds: 35
• Heavy Atoms: 198
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2702.27
LogP ≤ 5	21.83
H-Bond Donors ≤ 5	22
H-Bond Acceptors ≤ 10	37

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;1-(4-chlorophenyl)-3-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]urea;1-(2,6-difluorophenyl)-3-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]urea;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-(methoxymethyl)-4-nitrobenzamide;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;1-(4-chlorophenyl)-3-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]urea;1-(2,6-difluorophenyl)-3-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]urea;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-(methoxymethyl)-4-nitrobenzamide;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 161178857) is 4-amino-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-ethoxybenzamide;1-(4-chlorophenyl)-3-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]urea;1-(2,6-difluorophenyl)-3-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]urea;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-(methoxymethyl)-4-nitrobenzamide;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;1-(4-chlorophenyl)-3-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]urea;1-(2,6-difluorophenyl)-3-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]urea;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-(methoxymethyl)-4-nitrobenzamide;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;1-(4-chlorophenyl)-3-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]urea;1-(2,6-difluorophenyl)-3-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]urea;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-(methoxymethyl)-4-nitrobenzamide;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.COCc1cc([N+](=O)[O-])ccc1C(=O)Nc1cn[nH]c1-c1nc2cc(OC)c(OC)cc2[nH]1.O=C(Nc1ccc(Cl)cc1)Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1.O=C(Nc1ccc2ccccc2c1)Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1.O=C(Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)Nc1c(F)cccc1F.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;1-(4-chlorophenyl)-3-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]urea;1-(2,6-difluorophenyl)-3-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]urea;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-(methoxymethyl)-4-nitrobenzamide;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 USEFYICDLSKLIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N7O2.C24H22N8O2.C22H22ClN7O2.C22H21F2N7O2.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;23-15-2-4-16(5-3-15)25-22(31)28-19-12-24-29-20(19)21-26-17-6-1-14(11-18(17)27-21)13-30-7-9-32-10-8-30;23-14-2-1-3-15(24)19(14)29-22(32)28-18-11-25-30-20(18)21-26-16-5-4-13(10-17(16)27-21)12-31-6-8-33-9-7-31;1-31-10-11-6-12(27(29)30)4-5-13(11)21(28)25-16-9-22-26-19(16)20-23-14-7-17(32-2)18(33-3)8-15(14)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);1-6,11-12H,7-10,13H2,(H,24,29)(H,26,27)(H2,25,28,31);1-5,10-11H,6-9,12H2,(H,25,30)(H,26,27)(H2,28,29,32);4-9H,10H2,1-3H3,(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;1-(4-chlorophenyl)-3-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]urea;1-(2,6-difluorophenyl)-3-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]urea;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-(methoxymethyl)-4-nitrobenzamide;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;1-(4-chlorophenyl)-3-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]urea;1-(2,6-difluorophenyl)-3-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]urea;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-(methoxymethyl)-4-nitrobenzamide;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 2702.27 g/mol, XLogP of 21.83, 35 rotatable bonds, 22 hydrogen bond donors, and 37 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;1-(4-chlorophenyl)-3-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]urea;1-(2,6-difluorophenyl)-3-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]urea;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-(methoxymethyl)-4-nitrobenzamide;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 161178857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).