C100H94ClN29O7 — CID 158856451
N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-chloro-4-pyrrolidin-1-ylbenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methyl-4-morpholin-4-ylbenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1-methylpiperidine-4-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-4-(1,3-oxazol-5-yl)benzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,4,6-trimethylbenzamide (PubChem CID 158856451) has the molecular formula C100H94ClN29O7 and a molecular weight of 1849.50 g/mol. Its IUPAC name is N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-chloro-4-pyrrolidin-1-ylbenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methyl-4-morpholin-4-ylbenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1-methylpiperidine-4-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-4-(1,3-oxazol-5-yl)benzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,4,6-trimethylbenzamide.
| Compound Name | N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-chloro-4-pyrrolidin-1-ylbenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methyl-4-morpholin-4-ylbenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1-methylpiperidine-4-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-4-(1,3-oxazol-5-yl)benzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,4,6-trimethylbenzamide |
|---|---|
| PubChem CID | 158856451 |
| Molecular Formula | C100H94ClN29O7 |
| Molecular Weight | 1849.50 g/mol |
| Exact Mass | 1847.76 |
| IUPAC Name | N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-chloro-4-pyrrolidin-1-ylbenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methyl-4-morpholin-4-ylbenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1-methylpiperidine-4-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-4-(1,3-oxazol-5-yl)benzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,4,6-trimethylbenzamide |
| SMILES | CN1CCC(C(=O)Nc2cn[nH]c2-c2nc3ccccc3[nH]2)CC1.Cc1cc(C)c(C(=O)Nc2cn[nH]c2-c2nc3ccccc3[nH]2)c(C)c1.Cc1cc(N2CCOCC2)ccc1C(=O)Nc1cn[nH]c1-c1nc2ccccc2[nH]1.O=C(Nc1cn[nH]c1-c1nc2ccccc2[nH]1)c1ccc(-c2cnco2)cc1.O=C(Nc1cn[nH]c1-c1nc2ccccc2[nH]1)c1ccc(N2CCCC2)cc1Cl |
| InChI | InChI=1S/C22H22N6O2.C21H19ClN6O.C20H14N6O2.C20H19N5O.C17H20N6O/c1-14-12-15(28-8-10-30-11-9-28)6-7-16(14)22(29)26-19-13-23-27-20(19)21-24-17-4-2-3-5-18(17)25-21;22-15-11-13(28-9-3-4-10-28)7-8-14(15)21(29)26-18-12-23-27-19(18)20-24-16-5-1-2-6-17(16)25-20;27-20(13-7-5-12(6-8-13)17-10-21-11-28-17)25-16-9-22-26-18(16)19-23-14-3-1-2-4-15(14)24-19;1-11-8-12(2)17(13(3)9-11)20(26)24-16-10-21-25-18(16)19-22-14-6-4-5-7-15(14)23-19;1-23-8-6-11(7-9-23)17(24)21-14-10-18-22-15(14)16-19-12-4-2-3-5-13(12)20-16/h2-7,12-13H,8-11H2,1H3,(H,23,27)(H,24,25)(H,26,29);1-2,5-8,11-12H,3-4,9-10H2,(H,23,27)(H,24,25)(H,26,29);1-11H,(H,22,26)(H,23,24)(H,25,27);4-10H,1-3H3,(H,21,25)(H,22,23)(H,24,26);2-5,10-11H,6-9H2,1H3,(H,18,22)(H,19,20)(H,21,24) |
| InChIKey | JACPCFVMQCNXNU-UHFFFAOYSA-N |
| XLogP | 18.03 |
| TPSA | 477.28 Ų |
| H-Bond Donors | 15 |
| H-Bond Acceptors | 21 |
| Rotatable Bonds | 18 |
| Heavy Atoms | 137 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1849.50 |
| LogP ≤ 5 | 18.03 |
| H-Bond Donors ≤ 5 | 15 |
| H-Bond Acceptors ≤ 10 | 21 |