C123H126ClF2N21O7 — CID 159360159
N-(1-benzyl-4-methylimidazol-2-yl)benzamide;2-chloro-N-[1-ethyl-4-(4-methylphenyl)imidazol-2-yl]benzamide;N-(1,4-dimethylimidazol-2-yl)-2-fluorobenzamide;N-(1,5-dimethyl-4-phenylimidazol-2-yl)-2-fluorobenzamide;N-[1-ethyl-4-(4-methylphenyl)imidazol-2-yl]-3-methylbenzamide;N-(1-ethyl-4-phenylimidazol-2-yl)-4-methylbenzamide;4-methyl-N-(1-methyl-4-pentylimidazol-2-yl)benzamide (PubChem CID 159360159) has the molecular formula C123H126ClF2N21O7 and a molecular weight of 2083.95 g/mol. Its IUPAC name is N-(1-benzyl-4-methylimidazol-2-yl)benzamide;2-chloro-N-[1-ethyl-4-(4-methylphenyl)imidazol-2-yl]benzamide;N-(1,4-dimethylimidazol-2-yl)-2-fluorobenzamide;N-(1,5-dimethyl-4-phenylimidazol-2-yl)-2-fluorobenzamide;N-[1-ethyl-4-(4-methylphenyl)imidazol-2-yl]-3-methylbenzamide;N-(1-ethyl-4-phenylimidazol-2-yl)-4-methylbenzamide;4-methyl-N-(1-methyl-4-pentylimidazol-2-yl)benzamide.
| Compound Name | N-(1-benzyl-4-methylimidazol-2-yl)benzamide;2-chloro-N-[1-ethyl-4-(4-methylphenyl)imidazol-2-yl]benzamide;N-(1,4-dimethylimidazol-2-yl)-2-fluorobenzamide;N-(1,5-dimethyl-4-phenylimidazol-2-yl)-2-fluorobenzamide;N-[1-ethyl-4-(4-methylphenyl)imidazol-2-yl]-3-methylbenzamide;N-(1-ethyl-4-phenylimidazol-2-yl)-4-methylbenzamide;4-methyl-N-(1-methyl-4-pentylimidazol-2-yl)benzamide |
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| PubChem CID | 159360159 |
| Molecular Formula | C123H126ClF2N21O7 |
| Molecular Weight | 2083.95 g/mol |
| Exact Mass | 2081.98 |
| IUPAC Name | N-(1-benzyl-4-methylimidazol-2-yl)benzamide;2-chloro-N-[1-ethyl-4-(4-methylphenyl)imidazol-2-yl]benzamide;N-(1,4-dimethylimidazol-2-yl)-2-fluorobenzamide;N-(1,5-dimethyl-4-phenylimidazol-2-yl)-2-fluorobenzamide;N-[1-ethyl-4-(4-methylphenyl)imidazol-2-yl]-3-methylbenzamide;N-(1-ethyl-4-phenylimidazol-2-yl)-4-methylbenzamide;4-methyl-N-(1-methyl-4-pentylimidazol-2-yl)benzamide |
| SMILES | CCCCCc1cn(C)c(NC(=O)c2ccc(C)cc2)n1.CCn1cc(-c2ccc(C)cc2)nc1NC(=O)c1cccc(C)c1.CCn1cc(-c2ccc(C)cc2)nc1NC(=O)c1ccccc1Cl.CCn1cc(-c2ccccc2)nc1NC(=O)c1ccc(C)cc1.Cc1c(-c2ccccc2)nc(NC(=O)c2ccccc2F)n1C.Cc1cn(C)c(NC(=O)c2ccccc2F)n1.Cc1cn(Cc2ccccc2)c(NC(=O)c2ccccc2)n1 |
| InChI | InChI=1S/C20H21N3O.C19H18ClN3O.C19H19N3O.C18H16FN3O.C18H17N3O.C17H23N3O.C12H12FN3O/c1-4-23-13-18(16-10-8-14(2)9-11-16)21-20(23)22-19(24)17-7-5-6-15(3)12-17;1-3-23-12-17(14-10-8-13(2)9-11-14)21-19(23)22-18(24)15-6-4-5-7-16(15)20;1-3-22-13-17(15-7-5-4-6-8-15)20-19(22)21-18(23)16-11-9-14(2)10-12-16;1-12-16(13-8-4-3-5-9-13)20-18(22(12)2)21-17(23)14-10-6-7-11-15(14)19;1-14-12-21(13-15-8-4-2-5-9-15)18(19-14)20-17(22)16-10-6-3-7-11-16;1-4-5-6-7-15-12-20(3)17(18-15)19-16(21)14-10-8-13(2)9-11-14;1-8-7-16(2)12(14-8)15-11(17)9-5-3-4-6-10(9)13/h5-13H,4H2,1-3H3,(H,21,22,24);4-12H,3H2,1-2H3,(H,21,22,24);4-13H,3H2,1-2H3,(H,20,21,23);3-11H,1-2H3,(H,20,21,23);2-12H,13H2,1H3,(H,19,20,22);8-12H,4-7H2,1-3H3,(H,18,19,21);3-7H,1-2H3,(H,14,15,17) |
| InChIKey | LIKYOPKEGXVSPC-UHFFFAOYSA-N |
| XLogP | 26.47 |
| TPSA | 328.44 Ų |
| H-Bond Donors | 7 |
| H-Bond Acceptors | 21 |
| Rotatable Bonds | 27 |
| Heavy Atoms | 154 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2083.95 |
| LogP ≤ 5 | 26.47 |
| H-Bond Donors ≤ 5 | 7 |
| H-Bond Acceptors ≤ 10 | 21 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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