C104H96Cl3N13 — CID 159924051
5-[(Z)-1-(3-chlorophenyl)-2-phenylethenyl]-1H-imidazole;5-[1-(2,3-dichlorophenyl)-2-phenylethyl]-1H-imidazole;5-[1-(2,3-dimethylphenyl)-2-phenylethyl]-1H-imidazole;5-(1,2-diphenylethyl)-1H-imidazole;4-[1-(1H-imidazol-5-yl)-2-phenylethyl]pyridine;5-[1-(2-methylphenyl)-2-phenylethyl]-1H-imidazole (PubChem CID 159924051) has the molecular formula C104H96Cl3N13 and a molecular weight of 1634.36 g/mol. Its IUPAC name is 5-[(Z)-1-(3-chlorophenyl)-2-phenylethenyl]-1H-imidazole;5-[1-(2,3-dichlorophenyl)-2-phenylethyl]-1H-imidazole;5-[1-(2,3-dimethylphenyl)-2-phenylethyl]-1H-imidazole;5-(1,2-diphenylethyl)-1H-imidazole;4-[1-(1H-imidazol-5-yl)-2-phenylethyl]pyridine;5-[1-(2-methylphenyl)-2-phenylethyl]-1H-imidazole.
| Compound Name | 5-[(Z)-1-(3-chlorophenyl)-2-phenylethenyl]-1H-imidazole;5-[1-(2,3-dichlorophenyl)-2-phenylethyl]-1H-imidazole;5-[1-(2,3-dimethylphenyl)-2-phenylethyl]-1H-imidazole;5-(1,2-diphenylethyl)-1H-imidazole;4-[1-(1H-imidazol-5-yl)-2-phenylethyl]pyridine;5-[1-(2-methylphenyl)-2-phenylethyl]-1H-imidazole |
|---|---|
| PubChem CID | 159924051 |
| Molecular Formula | C104H96Cl3N13 |
| Molecular Weight | 1634.36 g/mol |
| Exact Mass | 1631.70 |
| IUPAC Name | 5-[(Z)-1-(3-chlorophenyl)-2-phenylethenyl]-1H-imidazole;5-[1-(2,3-dichlorophenyl)-2-phenylethyl]-1H-imidazole;5-[1-(2,3-dimethylphenyl)-2-phenylethyl]-1H-imidazole;5-(1,2-diphenylethyl)-1H-imidazole;4-[1-(1H-imidazol-5-yl)-2-phenylethyl]pyridine;5-[1-(2-methylphenyl)-2-phenylethyl]-1H-imidazole |
| SMILES | Cc1cccc(C(Cc2ccccc2)c2cnc[nH]2)c1C.Cc1ccccc1C(Cc1ccccc1)c1cnc[nH]1.Clc1cccc(/C(=C/c2ccccc2)c2cnc[nH]2)c1.Clc1cccc(C(Cc2ccccc2)c2cnc[nH]2)c1Cl.c1ccc(CC(c2ccccc2)c2cnc[nH]2)cc1.c1ccc(CC(c2ccncc2)c2cnc[nH]2)cc1 |
| InChI | InChI=1S/C19H20N2.C18H18N2.C17H14Cl2N2.C17H13ClN2.C17H16N2.C16H15N3/c1-14-7-6-10-17(15(14)2)18(19-12-20-13-21-19)11-16-8-4-3-5-9-16;1-14-7-5-6-10-16(14)17(18-12-19-13-20-18)11-15-8-3-2-4-9-15;18-15-8-4-7-13(17(15)19)14(16-10-20-11-21-16)9-12-5-2-1-3-6-12;18-15-8-4-7-14(10-15)16(17-11-19-12-20-17)9-13-5-2-1-3-6-13;1-3-7-14(8-4-1)11-16(17-12-18-13-19-17)15-9-5-2-6-10-15;1-2-4-13(5-3-1)10-15(16-11-18-12-19-16)14-6-8-17-9-7-14/h3-10,12-13,18H,11H2,1-2H3,(H,20,21);2-10,12-13,17H,11H2,1H3,(H,19,20);1-8,10-11,14H,9H2,(H,20,21);1-12H,(H,19,20);1-10,12-13,16H,11H2,(H,18,19);1-9,11-12,15H,10H2,(H,18,19)/b;;;16-9-;; |
| InChIKey | NYTXTKSQNSPHML-IRLWLDGJSA-N |
| XLogP | 25.20 |
| TPSA | 184.97 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 7 |
| Rotatable Bonds | 23 |
| Heavy Atoms | 120 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1634.36 |
| LogP ≤ 5 | 25.20 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 7 |
| Structural Alerts | {'alert_name': 'stilbene', 'substructure': 'N/A'} |
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