C113H129BBr7Cl2F6N25O12SiSn — CID 167672936
4-bromo-5-cyclopropyl-1-[(3-fluoro-4-nitrophenyl)methyl]imidazole;4-bromo-5-cyclopropyl-1H-imidazole;2-[(4-bromo-5-cyclopropylimidazol-1-yl)methoxy]ethyl-trimethylsilane;4-[(4-bromo-5-cyclopropylimidazol-1-yl)methyl]-2-N-methylbenzene-1,2-diamine;6-[(4-bromo-5-cyclopropylimidazol-1-yl)methyl]-1-methylbenzimidazole;5-[(4-bromo-5-cyclopropylimidazol-1-yl)methyl]-N-methyl-2-nitroaniline;4-(bromomethyl)-2-fluoro-1-nitrobenzene;6-[[5-cyclopropyl-4-(2,5-difluorophenyl)imidazol-1-yl]methyl]-1-methylbenzimidazole;dichlorotin;(2,5-difluorophenyl)boronic acid;methanamine;trimethoxymethane (PubChem CID 167672936) has the molecular formula C113H129BBr7Cl2F6N25O12SiSn and a molecular weight of 2931.27 g/mol. Its IUPAC name is 4-bromo-5-cyclopropyl-1-[(3-fluoro-4-nitrophenyl)methyl]imidazole;4-bromo-5-cyclopropyl-1H-imidazole;2-[(4-bromo-5-cyclopropylimidazol-1-yl)methoxy]ethyl-trimethylsilane;4-[(4-bromo-5-cyclopropylimidazol-1-yl)methyl]-2-N-methylbenzene-1,2-diamine;6-[(4-bromo-5-cyclopropylimidazol-1-yl)methyl]-1-methylbenzimidazole;5-[(4-bromo-5-cyclopropylimidazol-1-yl)methyl]-N-methyl-2-nitroaniline;4-(bromomethyl)-2-fluoro-1-nitrobenzene;6-[[5-cyclopropyl-4-(2,5-difluorophenyl)imidazol-1-yl]methyl]-1-methylbenzimidazole;dichlorotin;(2,5-difluorophenyl)boronic acid;methanamine;trimethoxymethane.
| Compound Name | 4-bromo-5-cyclopropyl-1-[(3-fluoro-4-nitrophenyl)methyl]imidazole;4-bromo-5-cyclopropyl-1H-imidazole;2-[(4-bromo-5-cyclopropylimidazol-1-yl)methoxy]ethyl-trimethylsilane;4-[(4-bromo-5-cyclopropylimidazol-1-yl)methyl]-2-N-methylbenzene-1,2-diamine;6-[(4-bromo-5-cyclopropylimidazol-1-yl)methyl]-1-methylbenzimidazole;5-[(4-bromo-5-cyclopropylimidazol-1-yl)methyl]-N-methyl-2-nitroaniline;4-(bromomethyl)-2-fluoro-1-nitrobenzene;6-[[5-cyclopropyl-4-(2,5-difluorophenyl)imidazol-1-yl]methyl]-1-methylbenzimidazole;dichlorotin;(2,5-difluorophenyl)boronic acid;methanamine;trimethoxymethane |
|---|---|
| PubChem CID | 167672936 |
| Molecular Formula | C113H129BBr7Cl2F6N25O12SiSn |
| Molecular Weight | 2931.27 g/mol |
| Exact Mass | 2923.27 |
| IUPAC Name | 4-bromo-5-cyclopropyl-1-[(3-fluoro-4-nitrophenyl)methyl]imidazole;4-bromo-5-cyclopropyl-1H-imidazole;2-[(4-bromo-5-cyclopropylimidazol-1-yl)methoxy]ethyl-trimethylsilane;4-[(4-bromo-5-cyclopropylimidazol-1-yl)methyl]-2-N-methylbenzene-1,2-diamine;6-[(4-bromo-5-cyclopropylimidazol-1-yl)methyl]-1-methylbenzimidazole;5-[(4-bromo-5-cyclopropylimidazol-1-yl)methyl]-N-methyl-2-nitroaniline;4-(bromomethyl)-2-fluoro-1-nitrobenzene;6-[[5-cyclopropyl-4-(2,5-difluorophenyl)imidazol-1-yl]methyl]-1-methylbenzimidazole;dichlorotin;(2,5-difluorophenyl)boronic acid;methanamine;trimethoxymethane |
| SMILES | Brc1nc[nH]c1C1CC1.CN.CNc1cc(Cn2cnc(Br)c2C2CC2)ccc1N.CNc1cc(Cn2cnc(Br)c2C2CC2)ccc1[N+](=O)[O-].COC(OC)OC.C[Si](C)(C)CCOCn1cnc(Br)c1C1CC1.Cl[Sn]Cl.Cn1cnc2ccc(Cn3cnc(-c4cc(F)ccc4F)c3C3CC3)cc21.Cn1cnc2ccc(Cn3cnc(Br)c3C3CC3)cc21.O=[N+]([O-])c1ccc(CBr)cc1F.O=[N+]([O-])c1ccc(Cn2cnc(Br)c2C2CC2)cc1F.OB(O)c1cc(F)ccc1F |
| InChI | InChI=1S/C21H18F2N4.C15H15BrN4.C14H15BrN4O2.C14H17BrN4.C13H11BrFN3O2.C12H21BrN2OSi.C7H5BrFNO2.C6H5BF2O2.C6H7BrN2.C4H10O3.CH5N.2ClH.Sn/c1-26-11-24-18-7-2-13(8-19(18)26)10-27-12-25-20(21(27)14-3-4-14)16-9-15(22)5-6-17(16)23;1-19-8-17-12-5-2-10(6-13(12)19)7-20-9-18-15(16)14(20)11-3-4-11;1-16-11-6-9(2-5-12(11)19(20)21)7-18-8-17-14(15)13(18)10-3-4-10;1-17-12-6-9(2-5-11(12)16)7-19-8-18-14(15)13(19)10-3-4-10;14-13-12(9-2-3-9)17(7-16-13)6-8-1-4-11(18(19)20)10(15)5-8;1-17(2,3)7-6-16-9-15-8-14-12(13)11(15)10-4-5-10;8-4-5-1-2-7(10(11)12)6(9)3-5;8-4-1-2-6(9)5(3-4)7(10)11;7-6-5(4-1-2-4)8-3-9-6;1-5-4(6-2)7-3;1-2;;;/h2,5-9,11-12,14H,3-4,10H2,1H3;2,5-6,8-9,11H,3-4,7H2,1H3;2,5-6,8,10,16H,3-4,7H2,1H3;2,5-6,8,10,17H,3-4,7,16H2,1H3;1,4-5,7,9H,2-3,6H2;8,10H,4-7,9H2,1-3H3;1-3H,4H2;1-3,10-11H;3-4H,1-2H2,(H,8,9);4H,1-3H3;2H2,1H3;2*1H;/q;;;;;;;;;;;;;+2/p-2 |
| InChIKey | UJWONQIJNTWRII-UHFFFAOYSA-L |
| XLogP | 27.37 |
| TPSA | 454.14 Ų |
| H-Bond Donors | 7 |
| H-Bond Acceptors | 33 |
| Rotatable Bonds | 33 |
| Heavy Atoms | 168 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2931.27 |
| LogP ≤ 5 | 27.37 |
| H-Bond Donors ≤ 5 | 7 |
| H-Bond Acceptors ≤ 10 | 33 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'} |
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