C109H117ClF7N41O7 — CID 162183242
N-[5-(5-chloro-6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]acetamide;N-[5-(5-ethyl-6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-4-methylpiperazine-1-carboxamide;N-[5-(5-fluoro-6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]acetamide;N-[5-(5-fluoro-6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-4-methylpiperazine-1-carboxamide;bis(N-[5-(5-fluoro-6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]piperidine-1-carboxamide);N-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]acetamide (PubChem CID 162183242) has the molecular formula C109H117ClF7N41O7 and a molecular weight of 2281.85 g/mol. Its IUPAC name is N-[5-(5-chloro-6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]acetamide;N-[5-(5-ethyl-6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-4-methylpiperazine-1-carboxamide;N-[5-(5-fluoro-6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]acetamide;N-[5-(5-fluoro-6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-4-methylpiperazine-1-carboxamide;bis(N-[5-(5-fluoro-6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]piperidine-1-carboxamide);N-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]acetamide.
| Compound Name | N-[5-(5-chloro-6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]acetamide;N-[5-(5-ethyl-6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-4-methylpiperazine-1-carboxamide;N-[5-(5-fluoro-6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]acetamide;N-[5-(5-fluoro-6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-4-methylpiperazine-1-carboxamide;bis(N-[5-(5-fluoro-6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]piperidine-1-carboxamide);N-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]acetamide |
|---|---|
| PubChem CID | 162183242 |
| Molecular Formula | C109H117ClF7N41O7 |
| Molecular Weight | 2281.85 g/mol |
| Exact Mass | 2279.96 |
| IUPAC Name | N-[5-(5-chloro-6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]acetamide;N-[5-(5-ethyl-6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-4-methylpiperazine-1-carboxamide;N-[5-(5-fluoro-6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]acetamide;N-[5-(5-fluoro-6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-4-methylpiperazine-1-carboxamide;bis(N-[5-(5-fluoro-6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]piperidine-1-carboxamide);N-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]acetamide |
| SMILES | CC(=O)Nc1cn[nH]c1-c1nc2cc(Cl)c(C)cc2[nH]1.CC(=O)Nc1cn[nH]c1-c1nc2cc(F)c(C)cc2[nH]1.CC(=O)Nc1cn[nH]c1-c1nc2ccc(C(F)(F)F)cc2[nH]1.CCc1cc2nc(-c3[nH]ncc3NC(=O)N3CCN(C)CC3)[nH]c2cc1C.Cc1cc2[nH]c(-c3[nH]ncc3NC(=O)N3CCCCC3)nc2cc1F.Cc1cc2[nH]c(-c3[nH]ncc3NC(=O)N3CCCCC3)nc2cc1F.Cc1cc2[nH]c(-c3[nH]ncc3NC(=O)N3CCN(C)CC3)nc2cc1F |
| InChI | InChI=1S/C19H25N7O.C17H20FN7O.2C17H19FN6O.C13H12ClN5O.C13H10F3N5O.C13H12FN5O/c1-4-13-10-15-14(9-12(13)2)21-18(22-15)17-16(11-20-24-17)23-19(27)26-7-5-25(3)6-8-26;1-10-7-12-13(8-11(10)18)21-16(20-12)15-14(9-19-23-15)22-17(26)25-5-3-24(2)4-6-25;2*1-10-7-12-13(8-11(10)18)21-16(20-12)15-14(9-19-23-15)22-17(25)24-5-3-2-4-6-24;1-6-3-9-10(4-8(6)14)18-13(17-9)12-11(5-15-19-12)16-7(2)20;1-6(22)18-10-5-17-21-11(10)12-19-8-3-2-7(13(14,15)16)4-9(8)20-12;1-6-3-9-10(4-8(6)14)18-13(17-9)12-11(5-15-19-12)16-7(2)20/h9-11H,4-8H2,1-3H3,(H,20,24)(H,21,22)(H,23,27);7-9H,3-6H2,1-2H3,(H,19,23)(H,20,21)(H,22,26);2*7-9H,2-6H2,1H3,(H,19,23)(H,20,21)(H,22,25);3-5H,1-2H3,(H,15,19)(H,16,20)(H,17,18);2-5H,1H3,(H,17,21)(H,18,22)(H,19,20);3-5H,1-2H3,(H,15,19)(H,16,20)(H,17,18) |
| InChIKey | ZPHYPECYSQOADF-UHFFFAOYSA-N |
| XLogP | 19.78 |
| TPSA | 624.66 Ų |
| H-Bond Donors | 21 |
| H-Bond Acceptors | 23 |
| Rotatable Bonds | 15 |
| Heavy Atoms | 165 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2281.85 |
| LogP ≤ 5 | 19.78 |
| H-Bond Donors ≤ 5 | 21 |
| H-Bond Acceptors ≤ 10 | 23 |