C66H65N19O7 — CID 157438224
1-ethyl-3-[4-(4-methoxy-2-pyridinyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[4-(6-methoxy-2-pyridinyl)-6-pyrimidin-5-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[4-(4-methyl-2-pyridinyl)-6-[2-oxo-1-(2-oxobutyl)-4-pyridinyl]-1H-benzimidazol-2-yl]urea (PubChem CID 157438224) has the molecular formula C66H65N19O7 and a molecular weight of 1236.37 g/mol. Its IUPAC name is 1-ethyl-3-[4-(4-methoxy-2-pyridinyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[4-(6-methoxy-2-pyridinyl)-6-pyrimidin-5-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[4-(4-methyl-2-pyridinyl)-6-[2-oxo-1-(2-oxobutyl)-4-pyridinyl]-1H-benzimidazol-2-yl]urea.
| Compound Name | 1-ethyl-3-[4-(4-methoxy-2-pyridinyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[4-(6-methoxy-2-pyridinyl)-6-pyrimidin-5-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[4-(4-methyl-2-pyridinyl)-6-[2-oxo-1-(2-oxobutyl)-4-pyridinyl]-1H-benzimidazol-2-yl]urea |
|---|---|
| PubChem CID | 157438224 |
| Molecular Formula | C66H65N19O7 |
| Molecular Weight | 1236.37 g/mol |
| Exact Mass | 1235.53 |
| IUPAC Name | 1-ethyl-3-[4-(4-methoxy-2-pyridinyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[4-(6-methoxy-2-pyridinyl)-6-pyrimidin-5-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[4-(4-methyl-2-pyridinyl)-6-[2-oxo-1-(2-oxobutyl)-4-pyridinyl]-1H-benzimidazol-2-yl]urea |
| SMILES | CCNC(=O)Nc1nc2c(-c3cc(C)ccn3)cc(-c3ccn(CC(=O)CC)c(=O)c3)cc2[nH]1.CCNC(=O)Nc1nc2c(-c3cc(OC)ccn3)cc(-c3cccnc3)cc2[nH]1.CCNC(=O)Nc1nc2c(-c3cccc(OC)n3)cc(-c3cncnc3)cc2[nH]1 |
| InChI | InChI=1S/C25H26N6O3.C21H20N6O2.C20H19N7O2/c1-4-18(32)14-31-9-7-16(13-22(31)33)17-11-19(20-10-15(3)6-8-27-20)23-21(12-17)28-24(29-23)30-25(34)26-5-2;1-3-23-21(28)27-20-25-18-10-14(13-5-4-7-22-12-13)9-16(19(18)26-20)17-11-15(29-2)6-8-24-17;1-3-23-20(28)27-19-25-16-8-12(13-9-21-11-22-10-13)7-14(18(16)26-19)15-5-4-6-17(24-15)29-2/h6-13H,4-5,14H2,1-3H3,(H3,26,28,29,30,34);4-12H,3H2,1-2H3,(H3,23,25,26,27,28);4-11H,3H2,1-2H3,(H3,23,25,26,27,28) |
| InChIKey | BRIYFYHTRIEIAJ-UHFFFAOYSA-N |
| XLogP | 10.95 |
| TPSA | 344.30 Ų |
| H-Bond Donors | 9 |
| H-Bond Acceptors | 17 |
| Rotatable Bonds | 17 |
| Heavy Atoms | 92 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1236.37 |
| LogP ≤ 5 | 10.95 |
| H-Bond Donors ≤ 5 | 9 |
| H-Bond Acceptors ≤ 10 | 17 |