C136H194N24O8 — CID 159511219
N-[2-cyclohexyl-6-(diethylamino)-3H-benzimidazol-5-yl]benzamide;N-[2-cyclohexyl-6-(diethylamino)-3H-benzimidazol-5-yl]butanamide;N-[2-cyclohexyl-6-(diethylamino)-3H-benzimidazol-5-yl]cyclopentanecarboxamide;N-[2-cyclohexyl-6-(diethylamino)-3H-benzimidazol-5-yl]-4-methoxybenzamide;N-[2-cyclohexyl-6-(diethylamino)-3H-benzimidazol-5-yl]pentanamide;propyl N-[2-cyclohexyl-6-(diethylamino)-3H-benzimidazol-5-yl]carbamate (PubChem CID 159511219) has the molecular formula C136H194N24O8 and a molecular weight of 2293.21 g/mol. Its IUPAC name is N-[2-cyclohexyl-6-(diethylamino)-3H-benzimidazol-5-yl]benzamide;N-[2-cyclohexyl-6-(diethylamino)-3H-benzimidazol-5-yl]butanamide;N-[2-cyclohexyl-6-(diethylamino)-3H-benzimidazol-5-yl]cyclopentanecarboxamide;N-[2-cyclohexyl-6-(diethylamino)-3H-benzimidazol-5-yl]-4-methoxybenzamide;N-[2-cyclohexyl-6-(diethylamino)-3H-benzimidazol-5-yl]pentanamide;propyl N-[2-cyclohexyl-6-(diethylamino)-3H-benzimidazol-5-yl]carbamate.
| Compound Name | N-[2-cyclohexyl-6-(diethylamino)-3H-benzimidazol-5-yl]benzamide;N-[2-cyclohexyl-6-(diethylamino)-3H-benzimidazol-5-yl]butanamide;N-[2-cyclohexyl-6-(diethylamino)-3H-benzimidazol-5-yl]cyclopentanecarboxamide;N-[2-cyclohexyl-6-(diethylamino)-3H-benzimidazol-5-yl]-4-methoxybenzamide;N-[2-cyclohexyl-6-(diethylamino)-3H-benzimidazol-5-yl]pentanamide;propyl N-[2-cyclohexyl-6-(diethylamino)-3H-benzimidazol-5-yl]carbamate |
|---|---|
| PubChem CID | 159511219 |
| Molecular Formula | C136H194N24O8 |
| Molecular Weight | 2293.21 g/mol |
| Exact Mass | 2291.55 |
| IUPAC Name | N-[2-cyclohexyl-6-(diethylamino)-3H-benzimidazol-5-yl]benzamide;N-[2-cyclohexyl-6-(diethylamino)-3H-benzimidazol-5-yl]butanamide;N-[2-cyclohexyl-6-(diethylamino)-3H-benzimidazol-5-yl]cyclopentanecarboxamide;N-[2-cyclohexyl-6-(diethylamino)-3H-benzimidazol-5-yl]-4-methoxybenzamide;N-[2-cyclohexyl-6-(diethylamino)-3H-benzimidazol-5-yl]pentanamide;propyl N-[2-cyclohexyl-6-(diethylamino)-3H-benzimidazol-5-yl]carbamate |
| SMILES | CCCC(=O)Nc1cc2[nH]c(C3CCCCC3)nc2cc1N(CC)CC.CCCCC(=O)Nc1cc2[nH]c(C3CCCCC3)nc2cc1N(CC)CC.CCCOC(=O)Nc1cc2[nH]c(C3CCCCC3)nc2cc1N(CC)CC.CCN(CC)c1cc2nc(C3CCCCC3)[nH]c2cc1NC(=O)C1CCCC1.CCN(CC)c1cc2nc(C3CCCCC3)[nH]c2cc1NC(=O)c1ccc(OC)cc1.CCN(CC)c1cc2nc(C3CCCCC3)[nH]c2cc1NC(=O)c1ccccc1 |
| InChI | InChI=1S/C25H32N4O2.C24H30N4O.C23H34N4O.C22H34N4O.C21H32N4O2.C21H32N4O/c1-4-29(5-2)23-16-21-20(26-24(27-21)17-9-7-6-8-10-17)15-22(23)28-25(30)18-11-13-19(31-3)14-12-18;1-3-28(4-2)22-16-20-19(25-23(26-20)17-11-7-5-8-12-17)15-21(22)27-24(29)18-13-9-6-10-14-18;1-3-27(4-2)21-15-19-18(24-22(25-19)16-10-6-5-7-11-16)14-20(21)26-23(28)17-12-8-9-13-17;1-4-7-13-21(27)23-19-14-17-18(15-20(19)26(5-2)6-3)25-22(24-17)16-11-9-8-10-12-16;1-4-12-27-21(26)24-18-13-16-17(14-19(18)25(5-2)6-3)23-20(22-16)15-10-8-7-9-11-15;1-4-10-20(26)22-18-13-16-17(14-19(18)25(5-2)6-3)24-21(23-16)15-11-8-7-9-12-15/h11-17H,4-10H2,1-3H3,(H,26,27)(H,28,30);6,9-10,13-17H,3-5,7-8,11-12H2,1-2H3,(H,25,26)(H,27,29);14-17H,3-13H2,1-2H3,(H,24,25)(H,26,28);14-16H,4-13H2,1-3H3,(H,23,27)(H,24,25);13-15H,4-12H2,1-3H3,(H,22,23)(H,24,26);13-15H,4-12H2,1-3H3,(H,22,26)(H,23,24) |
| InChIKey | MAPYZOSVNPTYLQ-UHFFFAOYSA-N |
| XLogP | 33.21 |
| TPSA | 384.58 Ų |
| H-Bond Donors | 12 |
| H-Bond Acceptors | 20 |
| Rotatable Bonds | 41 |
| Heavy Atoms | 168 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2293.21 |
| LogP ≤ 5 | 33.21 |
| H-Bond Donors ≤ 5 | 12 |
| H-Bond Acceptors ≤ 10 | 20 |