C171H181Cl5FN25O13 — CID 159109293
N-[4-[6-(butanoylamino)-1H-benzimidazol-2-yl]phenyl]cyclohexanecarboxamide;N-[4-(6-chloro-1H-benzimidazol-2-yl)-2-hydroxyphenyl]cyclohexanecarboxamide;N-[4-(6-chloro-1H-benzimidazol-2-yl)-3-methoxyphenyl]cyclohexanecarboxamide;N-[4-(6-chloro-1H-benzimidazol-2-yl)-2-methylphenyl]cyclohexanecarboxamide;N-[4-(6-chloro-1H-benzimidazol-2-yl)-3-methylphenyl]cyclohexanecarboxamide;N-[4-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)phenyl]cyclohexanecarboxamide;N-[4-(4,5-dimethyl-1H-benzimidazol-2-yl)phenyl]cyclohexanecarboxamide;methyl 2-[4-(cyclohexanecarbonylamino)phenyl]-3H-benzimidazole-5-carboxylate (PubChem CID 159109293) has the molecular formula C171H181Cl5FN25O13 and a molecular weight of 2990.75 g/mol. Its IUPAC name is N-[4-[6-(butanoylamino)-1H-benzimidazol-2-yl]phenyl]cyclohexanecarboxamide;N-[4-(6-chloro-1H-benzimidazol-2-yl)-2-hydroxyphenyl]cyclohexanecarboxamide;N-[4-(6-chloro-1H-benzimidazol-2-yl)-3-methoxyphenyl]cyclohexanecarboxamide;N-[4-(6-chloro-1H-benzimidazol-2-yl)-2-methylphenyl]cyclohexanecarboxamide;N-[4-(6-chloro-1H-benzimidazol-2-yl)-3-methylphenyl]cyclohexanecarboxamide;N-[4-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)phenyl]cyclohexanecarboxamide;N-[4-(4,5-dimethyl-1H-benzimidazol-2-yl)phenyl]cyclohexanecarboxamide;methyl 2-[4-(cyclohexanecarbonylamino)phenyl]-3H-benzimidazole-5-carboxylate.
| Compound Name | N-[4-[6-(butanoylamino)-1H-benzimidazol-2-yl]phenyl]cyclohexanecarboxamide;N-[4-(6-chloro-1H-benzimidazol-2-yl)-2-hydroxyphenyl]cyclohexanecarboxamide;N-[4-(6-chloro-1H-benzimidazol-2-yl)-3-methoxyphenyl]cyclohexanecarboxamide;N-[4-(6-chloro-1H-benzimidazol-2-yl)-2-methylphenyl]cyclohexanecarboxamide;N-[4-(6-chloro-1H-benzimidazol-2-yl)-3-methylphenyl]cyclohexanecarboxamide;N-[4-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)phenyl]cyclohexanecarboxamide;N-[4-(4,5-dimethyl-1H-benzimidazol-2-yl)phenyl]cyclohexanecarboxamide;methyl 2-[4-(cyclohexanecarbonylamino)phenyl]-3H-benzimidazole-5-carboxylate |
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| PubChem CID | 159109293 |
| Molecular Formula | C171H181Cl5FN25O13 |
| Molecular Weight | 2990.75 g/mol |
| Exact Mass | 2986.27 |
| IUPAC Name | N-[4-[6-(butanoylamino)-1H-benzimidazol-2-yl]phenyl]cyclohexanecarboxamide;N-[4-(6-chloro-1H-benzimidazol-2-yl)-2-hydroxyphenyl]cyclohexanecarboxamide;N-[4-(6-chloro-1H-benzimidazol-2-yl)-3-methoxyphenyl]cyclohexanecarboxamide;N-[4-(6-chloro-1H-benzimidazol-2-yl)-2-methylphenyl]cyclohexanecarboxamide;N-[4-(6-chloro-1H-benzimidazol-2-yl)-3-methylphenyl]cyclohexanecarboxamide;N-[4-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)phenyl]cyclohexanecarboxamide;N-[4-(4,5-dimethyl-1H-benzimidazol-2-yl)phenyl]cyclohexanecarboxamide;methyl 2-[4-(cyclohexanecarbonylamino)phenyl]-3H-benzimidazole-5-carboxylate |
| SMILES | CCCC(=O)Nc1ccc2nc(-c3ccc(NC(=O)C4CCCCC4)cc3)[nH]c2c1.COC(=O)c1ccc2nc(-c3ccc(NC(=O)C4CCCCC4)cc3)[nH]c2c1.COc1cc(NC(=O)C2CCCCC2)ccc1-c1nc2ccc(Cl)cc2[nH]1.Cc1cc(-c2nc3ccc(Cl)cc3[nH]2)ccc1NC(=O)C1CCCCC1.Cc1cc(NC(=O)C2CCCCC2)ccc1-c1nc2ccc(Cl)cc2[nH]1.Cc1ccc2[nH]c(-c3ccc(NC(=O)C4CCCCC4)cc3)nc2c1C.O=C(Nc1ccc(-c2nc3cc(Cl)c(F)cc3[nH]2)cc1)C1CCCCC1.O=C(Nc1ccc(-c2nc3ccc(Cl)cc3[nH]2)cc1O)C1CCCCC1 |
| InChI | InChI=1S/C24H28N4O2.C22H23N3O3.C22H25N3O.C21H22ClN3O2.2C21H22ClN3O.C20H19ClFN3O.C20H20ClN3O2/c1-2-6-22(29)25-19-13-14-20-21(15-19)28-23(27-20)16-9-11-18(12-10-16)26-24(30)17-7-4-3-5-8-17;1-28-22(27)16-9-12-18-19(13-16)25-20(24-18)14-7-10-17(11-8-14)23-21(26)15-5-3-2-4-6-15;1-14-8-13-19-20(15(14)2)25-21(24-19)16-9-11-18(12-10-16)23-22(26)17-6-4-3-5-7-17;1-27-19-12-15(23-21(26)13-5-3-2-4-6-13)8-9-16(19)20-24-17-10-7-14(22)11-18(17)25-20;1-13-11-16(23-21(26)14-5-3-2-4-6-14)8-9-17(13)20-24-18-10-7-15(22)12-19(18)25-20;1-13-11-15(20-23-18-10-8-16(22)12-19(18)24-20)7-9-17(13)25-21(26)14-5-3-2-4-6-14;21-15-10-17-18(11-16(15)22)25-19(24-17)12-6-8-14(9-7-12)23-20(26)13-4-2-1-3-5-13;21-14-7-9-15-17(11-14)23-19(22-15)13-6-8-16(18(25)10-13)24-20(26)12-4-2-1-3-5-12/h9-15,17H,2-8H2,1H3,(H,25,29)(H,26,30)(H,27,28);7-13,15H,2-6H2,1H3,(H,23,26)(H,24,25);8-13,17H,3-7H2,1-2H3,(H,23,26)(H,24,25);7-13H,2-6H2,1H3,(H,23,26)(H,24,25);7-12,14H,2-6H2,1H3,(H,23,26)(H,24,25);7-12,14H,2-6H2,1H3,(H,23,24)(H,25,26);6-11,13H,1-5H2,(H,23,26)(H,24,25);6-12,25H,1-5H2,(H,22,23)(H,24,26) |
| InChIKey | KEGZKAWZDPBGOY-UHFFFAOYSA-N |
| XLogP | 42.87 |
| TPSA | 547.10 Ų |
| H-Bond Donors | 18 |
| H-Bond Acceptors | 21 |
| Rotatable Bonds | 29 |
| Heavy Atoms | 215 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2990.75 |
| LogP ≤ 5 | 42.87 |
| H-Bond Donors ≤ 5 | 18 |
| H-Bond Acceptors ≤ 10 | 21 |
| Structural Alerts | {'alert_name': 'catechol', 'substructure': 'N/A'} |
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