C100H79ClF2N32O9S2 — CID 158534944
N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-chloro-4-morpholin-4-ylbenzamide;1-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-(2,6-difluorophenyl)urea;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]furan-3-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-methylfuran-2-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methylthiophene-3-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]thiophene-3-carboxamide (PubChem CID 158534944) has the molecular formula C100H79ClF2N32O9S2 and a molecular weight of 2010.53 g/mol. Its IUPAC name is N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-chloro-4-morpholin-4-ylbenzamide;1-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-(2,6-difluorophenyl)urea;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]furan-3-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-methylfuran-2-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methylthiophene-3-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]thiophene-3-carboxamide.
| Compound Name | N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-chloro-4-morpholin-4-ylbenzamide;1-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-(2,6-difluorophenyl)urea;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]furan-3-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-methylfuran-2-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methylthiophene-3-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]thiophene-3-carboxamide |
|---|---|
| PubChem CID | 158534944 |
| Molecular Formula | C100H79ClF2N32O9S2 |
| Molecular Weight | 2010.53 g/mol |
| Exact Mass | 2008.58 |
| IUPAC Name | N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-chloro-4-morpholin-4-ylbenzamide;1-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-(2,6-difluorophenyl)urea;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]furan-3-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-methylfuran-2-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methylthiophene-3-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]thiophene-3-carboxamide |
| SMILES | Cc1ccoc1C(=O)Nc1cn[nH]c1-c1nc2ccccc2[nH]1.Cc1sccc1C(=O)Nc1cn[nH]c1-c1nc2ccccc2[nH]1.O=C(Nc1cn[nH]c1-c1nc2ccccc2[nH]1)Nc1c(F)cccc1F.O=C(Nc1cn[nH]c1-c1nc2ccccc2[nH]1)c1ccc(N2CCOCC2)cc1Cl.O=C(Nc1cn[nH]c1-c1nc2ccccc2[nH]1)c1ccoc1.O=C(Nc1cn[nH]c1-c1nc2ccccc2[nH]1)c1ccsc1 |
| InChI | InChI=1S/C21H19ClN6O2.C17H12F2N6O.C16H13N5O2.C16H13N5OS.C15H11N5O2.C15H11N5OS/c22-15-11-13(28-7-9-30-10-8-28)5-6-14(15)21(29)26-18-12-23-27-19(18)20-24-16-3-1-2-4-17(16)25-20;18-9-4-3-5-10(19)14(9)24-17(26)23-13-8-20-25-15(13)16-21-11-6-1-2-7-12(11)22-16;1-9-6-7-23-14(9)16(22)20-12-8-17-21-13(12)15-18-10-4-2-3-5-11(10)19-15;1-9-10(6-7-23-9)16(22)20-13-8-17-21-14(13)15-18-11-4-2-3-5-12(11)19-15;2*21-15(9-5-6-22-8-9)19-12-7-16-20-13(12)14-17-10-3-1-2-4-11(10)18-14/h1-6,11-12H,7-10H2,(H,23,27)(H,24,25)(H,26,29);1-8H,(H,20,25)(H,21,22)(H2,23,24,26);2*2-8H,1H3,(H,17,21)(H,18,19)(H,20,22);2*1-8H,(H,16,20)(H,17,18)(H,19,21) |
| InChIKey | HNVDOPUKFPFBLQ-UHFFFAOYSA-N |
| XLogP | 20.32 |
| TPSA | 569.54 Ų |
| H-Bond Donors | 19 |
| H-Bond Acceptors | 24 |
| Rotatable Bonds | 19 |
| Heavy Atoms | 146 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2010.53 |
| LogP ≤ 5 | 20.32 |
| H-Bond Donors ≤ 5 | 19 |
| H-Bond Acceptors ≤ 10 | 24 |