C137H110Cl2N18O8 — CID 159426043
4-chloro-N-[3-[2-(4-methylphenyl)-1H-imidazol-5-yl]phenyl]benzamide;4-chloro-N-[3-(2-phenyl-1H-imidazol-5-yl)phenyl]benzamide;4-(hydroxymethyl)-N-[3-[2-(4-methylphenyl)-1H-imidazol-5-yl]phenyl]benzamide;4-(hydroxymethyl)-N-[3-(2-phenyl-1H-imidazol-5-yl)phenyl]benzamide;N-[3-[2-(4-methylphenyl)-1H-imidazol-5-yl]phenyl]benzamide;N-[3-(2-phenyl-1H-imidazol-5-yl)phenyl]benzamide (PubChem CID 159426043) has the molecular formula C137H110Cl2N18O8 and a molecular weight of 2207.41 g/mol. Its IUPAC name is 4-chloro-N-[3-[2-(4-methylphenyl)-1H-imidazol-5-yl]phenyl]benzamide;4-chloro-N-[3-(2-phenyl-1H-imidazol-5-yl)phenyl]benzamide;4-(hydroxymethyl)-N-[3-[2-(4-methylphenyl)-1H-imidazol-5-yl]phenyl]benzamide;4-(hydroxymethyl)-N-[3-(2-phenyl-1H-imidazol-5-yl)phenyl]benzamide;N-[3-[2-(4-methylphenyl)-1H-imidazol-5-yl]phenyl]benzamide;N-[3-(2-phenyl-1H-imidazol-5-yl)phenyl]benzamide.
| Compound Name | 4-chloro-N-[3-[2-(4-methylphenyl)-1H-imidazol-5-yl]phenyl]benzamide;4-chloro-N-[3-(2-phenyl-1H-imidazol-5-yl)phenyl]benzamide;4-(hydroxymethyl)-N-[3-[2-(4-methylphenyl)-1H-imidazol-5-yl]phenyl]benzamide;4-(hydroxymethyl)-N-[3-(2-phenyl-1H-imidazol-5-yl)phenyl]benzamide;N-[3-[2-(4-methylphenyl)-1H-imidazol-5-yl]phenyl]benzamide;N-[3-(2-phenyl-1H-imidazol-5-yl)phenyl]benzamide |
|---|---|
| PubChem CID | 159426043 |
| Molecular Formula | C137H110Cl2N18O8 |
| Molecular Weight | 2207.41 g/mol |
| Exact Mass | 2204.81 |
| IUPAC Name | 4-chloro-N-[3-[2-(4-methylphenyl)-1H-imidazol-5-yl]phenyl]benzamide;4-chloro-N-[3-(2-phenyl-1H-imidazol-5-yl)phenyl]benzamide;4-(hydroxymethyl)-N-[3-[2-(4-methylphenyl)-1H-imidazol-5-yl]phenyl]benzamide;4-(hydroxymethyl)-N-[3-(2-phenyl-1H-imidazol-5-yl)phenyl]benzamide;N-[3-[2-(4-methylphenyl)-1H-imidazol-5-yl]phenyl]benzamide;N-[3-(2-phenyl-1H-imidazol-5-yl)phenyl]benzamide |
| SMILES | Cc1ccc(-c2ncc(-c3cccc(NC(=O)c4ccc(CO)cc4)c3)[nH]2)cc1.Cc1ccc(-c2ncc(-c3cccc(NC(=O)c4ccc(Cl)cc4)c3)[nH]2)cc1.Cc1ccc(-c2ncc(-c3cccc(NC(=O)c4ccccc4)c3)[nH]2)cc1.O=C(Nc1cccc(-c2cnc(-c3ccccc3)[nH]2)c1)c1ccc(CO)cc1.O=C(Nc1cccc(-c2cnc(-c3ccccc3)[nH]2)c1)c1ccc(Cl)cc1.O=C(Nc1cccc(-c2cnc(-c3ccccc3)[nH]2)c1)c1ccccc1 |
| InChI | InChI=1S/C24H21N3O2.C23H18ClN3O.C23H19N3O2.C23H19N3O.C22H16ClN3O.C22H17N3O/c1-16-5-9-18(10-6-16)23-25-14-22(27-23)20-3-2-4-21(13-20)26-24(29)19-11-7-17(15-28)8-12-19;1-15-5-7-16(8-6-15)22-25-14-21(27-22)18-3-2-4-20(13-18)26-23(28)17-9-11-19(24)12-10-17;27-15-16-9-11-18(12-10-16)23(28)25-20-8-4-7-19(13-20)21-14-24-22(26-21)17-5-2-1-3-6-17;1-16-10-12-17(13-11-16)22-24-15-21(26-22)19-8-5-9-20(14-19)25-23(27)18-6-3-2-4-7-18;23-18-11-9-16(10-12-18)22(27)25-19-8-4-7-17(13-19)20-14-24-21(26-20)15-5-2-1-3-6-15;26-22(17-10-5-2-6-11-17)24-19-13-7-12-18(14-19)20-15-23-21(25-20)16-8-3-1-4-9-16/h2-14,28H,15H2,1H3,(H,25,27)(H,26,29);2-14H,1H3,(H,25,27)(H,26,28);1-14,27H,15H2,(H,24,26)(H,25,28);2-15H,1H3,(H,24,26)(H,25,27);1-14H,(H,24,26)(H,25,27);1-15H,(H,23,25)(H,24,26) |
| InChIKey | LQJCKSDVZPGFNF-UHFFFAOYSA-N |
| XLogP | 31.19 |
| TPSA | 387.14 Ų |
| H-Bond Donors | 14 |
| H-Bond Acceptors | 14 |
| Rotatable Bonds | 26 |
| Heavy Atoms | 165 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2207.41 |
| LogP ≤ 5 | 31.19 |
| H-Bond Donors ≤ 5 | 14 |
| H-Bond Acceptors ≤ 10 | 14 |