C209H278Ge4N16+10 — CID 160679869
1-tert-butyl-3-methyl-2-(2-methylphenyl)benzimidazol-3-ium;[2-(4-tert-butyl-2-methylphenyl)-5-(cyclopentylmethyl)-1-methylpyridin-1-ium-4-yl]-trimethylgermane;[5-(cyclopentylmethyl)-2-(2,4-dimethylphenyl)-1-methylpyridin-1-ium-4-yl]-trimethylgermane;[5-(cyclopentylmethyl)-1-methyl-2-[2-methyl-4-(2-methylpropyl)phenyl]pyridin-1-ium-4-yl]-trimethylgermane;[5-(cyclopentylmethyl)-1-methyl-2-(2-methyl-4-propan-2-ylphenyl)pyridin-1-ium-4-yl]-trimethylgermane;1-cyclopentyl-3-methyl-2-(2-methylphenyl)benzimidazol-3-ium;1,3-dimethyl-2-(2-methylphenyl)benzimidazol-3-ium;1-ethyl-3-methyl-2-(2-methylphenyl)benzimidazol-3-ium;1-methyl-2-(2-methylphenyl)-3-(2-methylpropyl)benzimidazol-1-ium;1-methyl-2-(2-methylphenyl)-3-propan-2-ylbenzimidazol-1-ium (PubChem CID 160679869) has the molecular formula C209H278Ge4N16+10 and a molecular weight of 3305.07 g/mol. Its IUPAC name is 1-tert-butyl-3-methyl-2-(2-methylphenyl)benzimidazol-3-ium;[2-(4-tert-butyl-2-methylphenyl)-5-(cyclopentylmethyl)-1-methylpyridin-1-ium-4-yl]-trimethylgermane;[5-(cyclopentylmethyl)-2-(2,4-dimethylphenyl)-1-methylpyridin-1-ium-4-yl]-trimethylgermane;[5-(cyclopentylmethyl)-1-methyl-2-[2-methyl-4-(2-methylpropyl)phenyl]pyridin-1-ium-4-yl]-trimethylgermane;[5-(cyclopentylmethyl)-1-methyl-2-(2-methyl-4-propan-2-ylphenyl)pyridin-1-ium-4-yl]-trimethylgermane;1-cyclopentyl-3-methyl-2-(2-methylphenyl)benzimidazol-3-ium;1,3-dimethyl-2-(2-methylphenyl)benzimidazol-3-ium;1-ethyl-3-methyl-2-(2-methylphenyl)benzimidazol-3-ium;1-methyl-2-(2-methylphenyl)-3-(2-methylpropyl)benzimidazol-1-ium;1-methyl-2-(2-methylphenyl)-3-propan-2-ylbenzimidazol-1-ium.
| Compound Name | 1-tert-butyl-3-methyl-2-(2-methylphenyl)benzimidazol-3-ium;[2-(4-tert-butyl-2-methylphenyl)-5-(cyclopentylmethyl)-1-methylpyridin-1-ium-4-yl]-trimethylgermane;[5-(cyclopentylmethyl)-2-(2,4-dimethylphenyl)-1-methylpyridin-1-ium-4-yl]-trimethylgermane;[5-(cyclopentylmethyl)-1-methyl-2-[2-methyl-4-(2-methylpropyl)phenyl]pyridin-1-ium-4-yl]-trimethylgermane;[5-(cyclopentylmethyl)-1-methyl-2-(2-methyl-4-propan-2-ylphenyl)pyridin-1-ium-4-yl]-trimethylgermane;1-cyclopentyl-3-methyl-2-(2-methylphenyl)benzimidazol-3-ium;1,3-dimethyl-2-(2-methylphenyl)benzimidazol-3-ium;1-ethyl-3-methyl-2-(2-methylphenyl)benzimidazol-3-ium;1-methyl-2-(2-methylphenyl)-3-(2-methylpropyl)benzimidazol-1-ium;1-methyl-2-(2-methylphenyl)-3-propan-2-ylbenzimidazol-1-ium |
|---|---|
| PubChem CID | 160679869 |
| Molecular Formula | C209H278Ge4N16+10 |
| Molecular Weight | 3305.07 g/mol |
| Exact Mass | 3307.90 |
| IUPAC Name | 1-tert-butyl-3-methyl-2-(2-methylphenyl)benzimidazol-3-ium;[2-(4-tert-butyl-2-methylphenyl)-5-(cyclopentylmethyl)-1-methylpyridin-1-ium-4-yl]-trimethylgermane;[5-(cyclopentylmethyl)-2-(2,4-dimethylphenyl)-1-methylpyridin-1-ium-4-yl]-trimethylgermane;[5-(cyclopentylmethyl)-1-methyl-2-[2-methyl-4-(2-methylpropyl)phenyl]pyridin-1-ium-4-yl]-trimethylgermane;[5-(cyclopentylmethyl)-1-methyl-2-(2-methyl-4-propan-2-ylphenyl)pyridin-1-ium-4-yl]-trimethylgermane;1-cyclopentyl-3-methyl-2-(2-methylphenyl)benzimidazol-3-ium;1,3-dimethyl-2-(2-methylphenyl)benzimidazol-3-ium;1-ethyl-3-methyl-2-(2-methylphenyl)benzimidazol-3-ium;1-methyl-2-(2-methylphenyl)-3-(2-methylpropyl)benzimidazol-1-ium;1-methyl-2-(2-methylphenyl)-3-propan-2-ylbenzimidazol-1-ium |
| SMILES | CCn1c(-c2ccccc2C)[n+](C)c2ccccc21.Cc1cc(C(C)(C)C)ccc1-c1cc([Ge](C)(C)C)c(CC2CCCC2)c[n+]1C.Cc1cc(C(C)C)ccc1-c1cc([Ge](C)(C)C)c(CC2CCCC2)c[n+]1C.Cc1cc(CC(C)C)ccc1-c1cc([Ge](C)(C)C)c(CC2CCCC2)c[n+]1C.Cc1ccc(-c2cc([Ge](C)(C)C)c(CC3CCCC3)c[n+]2C)c(C)c1.Cc1ccccc1-c1n(C(C)(C)C)c2ccccc2[n+]1C.Cc1ccccc1-c1n(C(C)C)c2ccccc2[n+]1C.Cc1ccccc1-c1n(C)c2ccccc2[n+]1C.Cc1ccccc1-c1n(C2CCCC2)c2ccccc2[n+]1C.Cc1ccccc1-c1n(CC(C)C)c2ccccc2[n+]1C |
| InChI | InChI=1S/2C26H40GeN.C25H38GeN.C23H34GeN.C20H23N2.2C19H23N2.C18H21N2.C17H19N2.C16H17N2/c1-19-15-22(26(2,3)4)13-14-23(19)25-17-24(27(5,6)7)21(18-28(25)8)16-20-11-9-10-12-20;1-19(2)14-22-12-13-24(20(3)15-22)26-17-25(27(4,5)6)23(18-28(26)7)16-21-10-8-9-11-21;1-18(2)21-12-13-23(19(3)14-21)25-16-24(26(4,5)6)22(17-27(25)7)15-20-10-8-9-11-20;1-17-11-12-21(18(2)13-17)23-15-22(24(3,4)5)20(16-25(23)6)14-19-9-7-8-10-19;1-15-9-3-6-12-17(15)20-21(2)18-13-7-8-14-19(18)22(20)16-10-4-5-11-16;1-14-10-6-7-11-15(14)18-20(5)16-12-8-9-13-17(16)21(18)19(2,3)4;1-14(2)13-21-18-12-8-7-11-17(18)20(4)19(21)16-10-6-5-9-15(16)3;1-13(2)20-17-12-8-7-11-16(17)19(4)18(20)15-10-6-5-9-14(15)3;1-4-19-16-12-8-7-11-15(16)18(3)17(19)14-10-6-5-9-13(14)2;1-12-8-4-5-9-13(12)16-17(2)14-10-6-7-11-15(14)18(16)3/h13-15,17-18,20H,9-12,16H2,1-8H3;12-13,15,17-19,21H,8-11,14,16H2,1-7H3;12-14,16-18,20H,8-11,15H2,1-7H3;11-13,15-16,19H,7-10,14H2,1-6H3;3,6-9,12-14,16H,4-5,10-11H2,1-2H3;6-13H,1-5H3;5-12,14H,13H2,1-4H3;5-13H,1-4H3;5-12H,4H2,1-3H3;4-11H,1-3H3/q10*+1 |
| InChIKey | UEOVKVIMVQCFTO-UHFFFAOYSA-N |
| XLogP | 46.30 |
| TPSA | 68.38 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 6 |
| Rotatable Bonds | 30 |
| Heavy Atoms | 229 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3305.07 |
| LogP ≤ 5 | 46.30 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |
| Structural Alerts | {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'} |
|---|