1-benzyl-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]pyrrolidine-2-carboxamide;5-chloro-2-methoxy-N-[5-[5-methoxy-6-[(1-methylpiperidin-4-yl)methoxy]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,4-dimethyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1,3-thiazole-5-carboxamide;2-methoxy-5-methylsulfonyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide

C95H104ClN25O14S2 — CID 159146204

About 1-benzyl-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]pyrrolidine-2-carboxamide;5-chloro-2-methoxy-N-[5-[5-methoxy-6-[(1-methylpiperidin-4-yl)methoxy]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,4-dimethyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1,3-thiazole-5-carboxamide;2-methoxy-5-methylsulfonyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide

1-benzyl-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]pyrrolidine-2-carboxamide;5-chloro-2-methoxy-N-[5-[5-methoxy-6-[(1-methylpiperidin-4-yl)methoxy]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,4-dimethyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1,3-thiazole-5-carboxamide;2-methoxy-5-methylsulfonyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide (PubChem CID 159146204) has the molecular formula C95H104ClN25O14S2 and a molecular weight of 1919.62 g/mol. Its IUPAC name is 1-benzyl-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]pyrrolidine-2-carboxamide;5-chloro-2-methoxy-N-[5-[5-methoxy-6-[(1-methylpiperidin-4-yl)methoxy]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,4-dimethyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1,3-thiazole-5-carboxamide;2-methoxy-5-methylsulfonyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide.

Molecular Properties

• Compound Name: 1-benzyl-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]pyrrolidine-2-carboxamide;5-chloro-2-methoxy-N-[5-[5-methoxy-6-[(1-methylpiperidin-4-yl)methoxy]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,4-dimethyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1,3-thiazole-5-carboxamide;2-methoxy-5-methylsulfonyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide
• PubChem CID: 159146204
• Molecular Formula: C95H104ClN25O14S2
• Molecular Weight: 1919.62 g/mol
• Exact Mass: 1917.73
• IUPAC Name: 1-benzyl-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]pyrrolidine-2-carboxamide;5-chloro-2-methoxy-N-[5-[5-methoxy-6-[(1-methylpiperidin-4-yl)methoxy]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,4-dimethyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1,3-thiazole-5-carboxamide;2-methoxy-5-methylsulfonyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide
• SMILES: COc1cc2nc(-c3[nH]ncc3NC(=O)C3CCCN3Cc3ccccc3)[nH]c2cc1OC.COc1cc2nc(-c3[nH]ncc3NC(=O)c3cc(Cl)ccc3OC)[nH]c2cc1OCC1CCN(C)CC1.COc1ccc(S(C)(=O)=O)cc1C(=O)Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1.Cc1nc(C)c(C(=O)Nc2cn[nH]c2-c2nc3ccc(CN4CCOCC4)cc3[nH]2)s1
• InChI: InChI=1S/C26H29ClN6O4.C24H26N6O5S.C24H26N6O3.C21H23N7O2S/c1-33-8-6-15(7-9-33)14-37-23-12-19-18(11-22(23)36-3)29-25(30-19)24-20(13-28-32-24)31-26(34)17-10-16(27)4-5-21(17)35-2;1-34-21-6-4-16(36(2,32)33)12-17(21)24(31)28-20-13-25-29-22(20)23-26-18-5-3-15(11-19(18)27-23)14-30-7-9-35-10-8-30;1-32-20-11-16-17(12-21(20)33-2)27-23(26-16)22-18(13-25-29-22)28-24(31)19-9-6-10-30(19)14-15-7-4-3-5-8-15;1-12-19(31-13(2)23-12)21(29)26-17-10-22-27-18(17)20-24-15-4-3-14(9-16(15)25-20)11-28-5-7-30-8-6-28/h4-5,10-13,15H,6-9,14H2,1-3H3,(H,28,32)(H,29,30)(H,31,34);3-6,11-13H,7-10,14H2,1-2H3,(H,25,29)(H,26,27)(H,28,31);3-5,7-8,11-13,19H,6,9-10,14H2,1-2H3,(H,25,29)(H,26,27)(H,28,31);3-4,9-10H,5-8,11H2,1-2H3,(H,22,27)(H,24,25)(H,26,29)
• InChIKey: KISCOHXNOFWLFN-UHFFFAOYSA-N
• XLogP: 13.73
• TPSA: 479.67 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 28
• Rotatable Bonds: 27
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1919.62
LogP ≤ 5	13.73
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]pyrrolidine-2-carboxamide;5-chloro-2-methoxy-N-[5-[5-methoxy-6-[(1-methylpiperidin-4-yl)methoxy]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,4-dimethyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1,3-thiazole-5-carboxamide;2-methoxy-5-methylsulfonyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide?

The IUPAC name of 1-benzyl-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]pyrrolidine-2-carboxamide;5-chloro-2-methoxy-N-[5-[5-methoxy-6-[(1-methylpiperidin-4-yl)methoxy]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,4-dimethyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1,3-thiazole-5-carboxamide;2-methoxy-5-methylsulfonyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide (CID 159146204) is 1-benzyl-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]pyrrolidine-2-carboxamide;5-chloro-2-methoxy-N-[5-[5-methoxy-6-[(1-methylpiperidin-4-yl)methoxy]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,4-dimethyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1,3-thiazole-5-carboxamide;2-methoxy-5-methylsulfonyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide.

What is the SMILES notation for 1-benzyl-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]pyrrolidine-2-carboxamide;5-chloro-2-methoxy-N-[5-[5-methoxy-6-[(1-methylpiperidin-4-yl)methoxy]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,4-dimethyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1,3-thiazole-5-carboxamide;2-methoxy-5-methylsulfonyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide?

The canonical SMILES for 1-benzyl-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]pyrrolidine-2-carboxamide;5-chloro-2-methoxy-N-[5-[5-methoxy-6-[(1-methylpiperidin-4-yl)methoxy]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,4-dimethyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1,3-thiazole-5-carboxamide;2-methoxy-5-methylsulfonyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide is COc1cc2nc(-c3[nH]ncc3NC(=O)C3CCCN3Cc3ccccc3)[nH]c2cc1OC.COc1cc2nc(-c3[nH]ncc3NC(=O)c3cc(Cl)ccc3OC)[nH]c2cc1OCC1CCN(C)CC1.COc1ccc(S(C)(=O)=O)cc1C(=O)Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1.Cc1nc(C)c(C(=O)Nc2cn[nH]c2-c2nc3ccc(CN4CCOCC4)cc3[nH]2)s1.

What is the InChIKey of 1-benzyl-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]pyrrolidine-2-carboxamide;5-chloro-2-methoxy-N-[5-[5-methoxy-6-[(1-methylpiperidin-4-yl)methoxy]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,4-dimethyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1,3-thiazole-5-carboxamide;2-methoxy-5-methylsulfonyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide?

The InChIKey is KISCOHXNOFWLFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29ClN6O4.C24H26N6O5S.C24H26N6O3.C21H23N7O2S/c1-33-8-6-15(7-9-33)14-37-23-12-19-18(11-22(23)36-3)29-25(30-19)24-20(13-28-32-24)31-26(34)17-10-16(27)4-5-21(17)35-2;1-34-21-6-4-16(36(2,32)33)12-17(21)24(31)28-20-13-25-29-22(20)23-26-18-5-3-15(11-19(18)27-23)14-30-7-9-35-10-8-30;1-32-20-11-16-17(12-21(20)33-2)27-23(26-16)22-18(13-25-29-22)28-24(31)19-9-6-10-30(19)14-15-7-4-3-5-8-15;1-12-19(31-13(2)23-12)21(29)26-17-10-22-27-18(17)20-24-15-4-3-14(9-16(15)25-20)11-28-5-7-30-8-6-28/h4-5,10-13,15H,6-9,14H2,1-3H3,(H,28,32)(H,29,30)(H,31,34);3-6,11-13H,7-10,14H2,1-2H3,(H,25,29)(H,26,27)(H,28,31);3-5,7-8,11-13,19H,6,9-10,14H2,1-2H3,(H,25,29)(H,26,27)(H,28,31);3-4,9-10H,5-8,11H2,1-2H3,(H,22,27)(H,24,25)(H,26,29).

What are the key properties of 1-benzyl-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]pyrrolidine-2-carboxamide;5-chloro-2-methoxy-N-[5-[5-methoxy-6-[(1-methylpiperidin-4-yl)methoxy]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,4-dimethyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1,3-thiazole-5-carboxamide;2-methoxy-5-methylsulfonyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide?

1-benzyl-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]pyrrolidine-2-carboxamide;5-chloro-2-methoxy-N-[5-[5-methoxy-6-[(1-methylpiperidin-4-yl)methoxy]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,4-dimethyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1,3-thiazole-5-carboxamide;2-methoxy-5-methylsulfonyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide has a molecular weight of 1919.62 g/mol, XLogP of 13.73, 27 rotatable bonds, 12 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 1-benzyl-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]pyrrolidine-2-carboxamide;5-chloro-2-methoxy-N-[5-[5-methoxy-6-[(1-methylpiperidin-4-yl)methoxy]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,4-dimethyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1,3-thiazole-5-carboxamide;2-methoxy-5-methylsulfonyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide is sourced from PubChem (CID 159146204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).