3-tert-butyl-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1-methylpyrazole-5-carboxamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-(4-fluorophenyl)-5-methyltriazole-4-carboxamide;2-methyl-2-phenyl-N-[5-[6-(piperidin-1-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]propanamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-4-oxo-3H-phthalazine-1-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide

C116H121FN36O13 — CID 157067008

About 3-tert-butyl-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1-methylpyrazole-5-carboxamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-(4-fluorophenyl)-5-methyltriazole-4-carboxamide;2-methyl-2-phenyl-N-[5-[6-(piperidin-1-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]propanamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-4-oxo-3H-phthalazine-1-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide

3-tert-butyl-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1-methylpyrazole-5-carboxamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-(4-fluorophenyl)-5-methyltriazole-4-carboxamide;2-methyl-2-phenyl-N-[5-[6-(piperidin-1-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]propanamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-4-oxo-3H-phthalazine-1-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide (PubChem CID 157067008) has the molecular formula C116H121FN36O13 and a molecular weight of 2246.48 g/mol. Its IUPAC name is 3-tert-butyl-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1-methylpyrazole-5-carboxamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-(4-fluorophenyl)-5-methyltriazole-4-carboxamide;2-methyl-2-phenyl-N-[5-[6-(piperidin-1-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]propanamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-4-oxo-3H-phthalazine-1-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide.

Molecular Properties

• Compound Name: 3-tert-butyl-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1-methylpyrazole-5-carboxamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-(4-fluorophenyl)-5-methyltriazole-4-carboxamide;2-methyl-2-phenyl-N-[5-[6-(piperidin-1-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]propanamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-4-oxo-3H-phthalazine-1-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
• PubChem CID: 157067008
• Molecular Formula: C116H121FN36O13
• Molecular Weight: 2246.48 g/mol
• Exact Mass: 2244.99
• IUPAC Name: 3-tert-butyl-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1-methylpyrazole-5-carboxamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-(4-fluorophenyl)-5-methyltriazole-4-carboxamide;2-methyl-2-phenyl-N-[5-[6-(piperidin-1-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]propanamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-4-oxo-3H-phthalazine-1-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
• SMILES: CC(C)(C(=O)Nc1cn[nH]c1-c1nc2ccc(CN3CCCCC3)cc2[nH]1)c1ccccc1.COc1cc2nc(-c3[nH]ncc3NC(=O)c3cc(C(C)(C)C)nn3C)[nH]c2cc1OC.COc1cc2nc(-c3[nH]ncc3NC(=O)c3nn(-c4ccc(F)cc4)nc3C)[nH]c2cc1OC.O=C(Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)c1n[nH]c(=O)c2ccccc12.O=C(Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)c1noc2c1CCCC2
• InChI: InChI=1S/C26H30N6O.C24H22N8O3.C23H25N7O3.C22H19FN8O3.C21H25N7O3/c1-26(2,19-9-5-3-6-10-19)25(33)30-22-16-27-31-23(22)24-28-20-12-11-18(15-21(20)29-24)17-32-13-7-4-8-14-32;33-23-16-4-2-1-3-15(16)20(30-31-23)24(34)28-19-12-25-29-21(19)22-26-17-6-5-14(11-18(17)27-22)13-32-7-9-35-10-8-32;31-23(20-15-3-1-2-4-19(15)33-29-20)27-18-12-24-28-21(18)22-25-16-6-5-14(11-17(16)26-22)13-30-7-9-32-10-8-30;1-11-19(30-31(29-11)13-6-4-12(23)5-7-13)22(32)27-16-10-24-28-20(16)21-25-14-8-17(33-2)18(34-3)9-15(14)26-21;1-21(2,3)17-9-14(28(4)27-17)20(29)25-13-10-22-26-18(13)19-23-11-7-15(30-5)16(31-6)8-12(11)24-19/h3,5-6,9-12,15-16H,4,7-8,13-14,17H2,1-2H3,(H,27,31)(H,28,29)(H,30,33);1-6,11-12H,7-10,13H2,(H,25,29)(H,26,27)(H,28,34)(H,31,33);5-6,11-12H,1-4,7-10,13H2,(H,24,28)(H,25,26)(H,27,31);4-10H,1-3H3,(H,24,28)(H,25,26)(H,27,32);7-10H,1-6H3,(H,22,26)(H,23,24)(H,25,29)
• InChIKey: ABZLMOCVJYORBC-UHFFFAOYSA-N
• XLogP: 16.54
• TPSA: 617.71 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 33
• Rotatable Bonds: 27
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2246.48
LogP ≤ 5	16.54
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	33

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1-methylpyrazole-5-carboxamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-(4-fluorophenyl)-5-methyltriazole-4-carboxamide;2-methyl-2-phenyl-N-[5-[6-(piperidin-1-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]propanamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-4-oxo-3H-phthalazine-1-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?

The IUPAC name of 3-tert-butyl-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1-methylpyrazole-5-carboxamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-(4-fluorophenyl)-5-methyltriazole-4-carboxamide;2-methyl-2-phenyl-N-[5-[6-(piperidin-1-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]propanamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-4-oxo-3H-phthalazine-1-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide (CID 157067008) is 3-tert-butyl-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1-methylpyrazole-5-carboxamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-(4-fluorophenyl)-5-methyltriazole-4-carboxamide;2-methyl-2-phenyl-N-[5-[6-(piperidin-1-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]propanamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-4-oxo-3H-phthalazine-1-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide.

What is the SMILES notation for 3-tert-butyl-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1-methylpyrazole-5-carboxamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-(4-fluorophenyl)-5-methyltriazole-4-carboxamide;2-methyl-2-phenyl-N-[5-[6-(piperidin-1-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]propanamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-4-oxo-3H-phthalazine-1-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?

The canonical SMILES for 3-tert-butyl-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1-methylpyrazole-5-carboxamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-(4-fluorophenyl)-5-methyltriazole-4-carboxamide;2-methyl-2-phenyl-N-[5-[6-(piperidin-1-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]propanamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-4-oxo-3H-phthalazine-1-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide is CC(C)(C(=O)Nc1cn[nH]c1-c1nc2ccc(CN3CCCCC3)cc2[nH]1)c1ccccc1.COc1cc2nc(-c3[nH]ncc3NC(=O)c3cc(C(C)(C)C)nn3C)[nH]c2cc1OC.COc1cc2nc(-c3[nH]ncc3NC(=O)c3nn(-c4ccc(F)cc4)nc3C)[nH]c2cc1OC.O=C(Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)c1n[nH]c(=O)c2ccccc12.O=C(Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)c1noc2c1CCCC2.

What is the InChIKey of 3-tert-butyl-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1-methylpyrazole-5-carboxamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-(4-fluorophenyl)-5-methyltriazole-4-carboxamide;2-methyl-2-phenyl-N-[5-[6-(piperidin-1-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]propanamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-4-oxo-3H-phthalazine-1-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?

The InChIKey is ABZLMOCVJYORBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O.C24H22N8O3.C23H25N7O3.C22H19FN8O3.C21H25N7O3/c1-26(2,19-9-5-3-6-10-19)25(33)30-22-16-27-31-23(22)24-28-20-12-11-18(15-21(20)29-24)17-32-13-7-4-8-14-32;33-23-16-4-2-1-3-15(16)20(30-31-23)24(34)28-19-12-25-29-21(19)22-26-17-6-5-14(11-18(17)27-22)13-32-7-9-35-10-8-32;31-23(20-15-3-1-2-4-19(15)33-29-20)27-18-12-24-28-21(18)22-25-16-6-5-14(11-17(16)26-22)13-30-7-9-32-10-8-30;1-11-19(30-31(29-11)13-6-4-12(23)5-7-13)22(32)27-16-10-24-28-20(16)21-25-14-8-17(33-2)18(34-3)9-15(14)26-21;1-21(2,3)17-9-14(28(4)27-17)20(29)25-13-10-22-26-18(13)19-23-11-7-15(30-5)16(31-6)8-12(11)24-19/h3,5-6,9-12,15-16H,4,7-8,13-14,17H2,1-2H3,(H,27,31)(H,28,29)(H,30,33);1-6,11-12H,7-10,13H2,(H,25,29)(H,26,27)(H,28,34)(H,31,33);5-6,11-12H,1-4,7-10,13H2,(H,24,28)(H,25,26)(H,27,31);4-10H,1-3H3,(H,24,28)(H,25,26)(H,27,32);7-10H,1-6H3,(H,22,26)(H,23,24)(H,25,29).

What are the key properties of 3-tert-butyl-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1-methylpyrazole-5-carboxamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-(4-fluorophenyl)-5-methyltriazole-4-carboxamide;2-methyl-2-phenyl-N-[5-[6-(piperidin-1-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]propanamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-4-oxo-3H-phthalazine-1-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?

3-tert-butyl-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1-methylpyrazole-5-carboxamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-(4-fluorophenyl)-5-methyltriazole-4-carboxamide;2-methyl-2-phenyl-N-[5-[6-(piperidin-1-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]propanamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-4-oxo-3H-phthalazine-1-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide has a molecular weight of 2246.48 g/mol, XLogP of 16.54, 27 rotatable bonds, 16 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 3-tert-butyl-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1-methylpyrazole-5-carboxamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-(4-fluorophenyl)-5-methyltriazole-4-carboxamide;2-methyl-2-phenyl-N-[5-[6-(piperidin-1-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]propanamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-4-oxo-3H-phthalazine-1-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide is sourced from PubChem (CID 157067008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).