C283H377F5N26OS — CID 160786197
6-(1-tert-butylcyclopropyl)-1H-benzimidazole;6-(1-tert-butylcyclopropyl)cinnoline;3-(1-tert-butylcyclopropyl)-5-fluoropyridine;5-(1-tert-butylcyclopropyl)-1H-indazole;(1-tert-butylcyclopropyl)methylbenzene;7-[(1-tert-butylcyclopropyl)methyl]cinnoline;2-[(1-tert-butylcyclopropyl)methyl]-5-fluoropyridine;2-[(1-tert-butylcyclopropyl)methyl]furan;6-[(1-tert-butylcyclopropyl)methyl]-1-methylbenzimidazole;4-[(1-tert-butylcyclopropyl)methyl]pyridazine;2-[(1-tert-butylcyclopropyl)methyl]pyridine;3-[(1-tert-butylcyclopropyl)methyl]pyridine;4-[(1-tert-butylcyclopropyl)methyl]pyridine;6-[(1-tert-butylcyclopropyl)methyl]quinoline;bis(6-[(1-tert-butylcyclopropyl)methyl]quinoxaline);2-[(1-tert-butylcyclopropyl)methyl]thiophene;2-[(1-tert-butylcyclopropyl)methyl]-5-(trifluoromethyl)pyridine;7-(1-tert-butylcyclopropyl)quinoline;6-(1-tert-butylcyclopropyl)quinoxaline (PubChem CID 160786197) has the molecular formula C283H377F5N26OS and a molecular weight of 4286.37 g/mol. Its IUPAC name is 6-(1-tert-butylcyclopropyl)-1H-benzimidazole;6-(1-tert-butylcyclopropyl)cinnoline;3-(1-tert-butylcyclopropyl)-5-fluoropyridine;5-(1-tert-butylcyclopropyl)-1H-indazole;(1-tert-butylcyclopropyl)methylbenzene;7-[(1-tert-butylcyclopropyl)methyl]cinnoline;2-[(1-tert-butylcyclopropyl)methyl]-5-fluoropyridine;2-[(1-tert-butylcyclopropyl)methyl]furan;6-[(1-tert-butylcyclopropyl)methyl]-1-methylbenzimidazole;4-[(1-tert-butylcyclopropyl)methyl]pyridazine;2-[(1-tert-butylcyclopropyl)methyl]pyridine;3-[(1-tert-butylcyclopropyl)methyl]pyridine;4-[(1-tert-butylcyclopropyl)methyl]pyridine;6-[(1-tert-butylcyclopropyl)methyl]quinoline;bis(6-[(1-tert-butylcyclopropyl)methyl]quinoxaline);2-[(1-tert-butylcyclopropyl)methyl]thiophene;2-[(1-tert-butylcyclopropyl)methyl]-5-(trifluoromethyl)pyridine;7-(1-tert-butylcyclopropyl)quinoline;6-(1-tert-butylcyclopropyl)quinoxaline.
| Compound Name | 6-(1-tert-butylcyclopropyl)-1H-benzimidazole;6-(1-tert-butylcyclopropyl)cinnoline;3-(1-tert-butylcyclopropyl)-5-fluoropyridine;5-(1-tert-butylcyclopropyl)-1H-indazole;(1-tert-butylcyclopropyl)methylbenzene;7-[(1-tert-butylcyclopropyl)methyl]cinnoline;2-[(1-tert-butylcyclopropyl)methyl]-5-fluoropyridine;2-[(1-tert-butylcyclopropyl)methyl]furan;6-[(1-tert-butylcyclopropyl)methyl]-1-methylbenzimidazole;4-[(1-tert-butylcyclopropyl)methyl]pyridazine;2-[(1-tert-butylcyclopropyl)methyl]pyridine;3-[(1-tert-butylcyclopropyl)methyl]pyridine;4-[(1-tert-butylcyclopropyl)methyl]pyridine;6-[(1-tert-butylcyclopropyl)methyl]quinoline;bis(6-[(1-tert-butylcyclopropyl)methyl]quinoxaline);2-[(1-tert-butylcyclopropyl)methyl]thiophene;2-[(1-tert-butylcyclopropyl)methyl]-5-(trifluoromethyl)pyridine;7-(1-tert-butylcyclopropyl)quinoline;6-(1-tert-butylcyclopropyl)quinoxaline |
|---|---|
| PubChem CID | 160786197 |
| Molecular Formula | C283H377F5N26OS |
| Molecular Weight | 4286.37 g/mol |
| Exact Mass | 4282.99 |
| IUPAC Name | 6-(1-tert-butylcyclopropyl)-1H-benzimidazole;6-(1-tert-butylcyclopropyl)cinnoline;3-(1-tert-butylcyclopropyl)-5-fluoropyridine;5-(1-tert-butylcyclopropyl)-1H-indazole;(1-tert-butylcyclopropyl)methylbenzene;7-[(1-tert-butylcyclopropyl)methyl]cinnoline;2-[(1-tert-butylcyclopropyl)methyl]-5-fluoropyridine;2-[(1-tert-butylcyclopropyl)methyl]furan;6-[(1-tert-butylcyclopropyl)methyl]-1-methylbenzimidazole;4-[(1-tert-butylcyclopropyl)methyl]pyridazine;2-[(1-tert-butylcyclopropyl)methyl]pyridine;3-[(1-tert-butylcyclopropyl)methyl]pyridine;4-[(1-tert-butylcyclopropyl)methyl]pyridine;6-[(1-tert-butylcyclopropyl)methyl]quinoline;bis(6-[(1-tert-butylcyclopropyl)methyl]quinoxaline);2-[(1-tert-butylcyclopropyl)methyl]thiophene;2-[(1-tert-butylcyclopropyl)methyl]-5-(trifluoromethyl)pyridine;7-(1-tert-butylcyclopropyl)quinoline;6-(1-tert-butylcyclopropyl)quinoxaline |
| SMILES | CC(C)(C)C1(Cc2ccc(C(F)(F)F)cn2)CC1.CC(C)(C)C1(Cc2ccc(F)cn2)CC1.CC(C)(C)C1(Cc2ccc3ccnnc3c2)CC1.CC(C)(C)C1(Cc2ccc3ncccc3c2)CC1.CC(C)(C)C1(Cc2ccc3nccnc3c2)CC1.CC(C)(C)C1(Cc2ccc3nccnc3c2)CC1.CC(C)(C)C1(Cc2ccccc2)CC1.CC(C)(C)C1(Cc2ccccn2)CC1.CC(C)(C)C1(Cc2cccnc2)CC1.CC(C)(C)C1(Cc2ccco2)CC1.CC(C)(C)C1(Cc2cccs2)CC1.CC(C)(C)C1(Cc2ccncc2)CC1.CC(C)(C)C1(Cc2ccnnc2)CC1.CC(C)(C)C1(c2ccc3[nH]ncc3c2)CC1.CC(C)(C)C1(c2ccc3cccnc3c2)CC1.CC(C)(C)C1(c2ccc3nc[nH]c3c2)CC1.CC(C)(C)C1(c2ccc3nccnc3c2)CC1.CC(C)(C)C1(c2ccc3nnccc3c2)CC1.CC(C)(C)C1(c2cncc(F)c2)CC1.Cn1cnc2ccc(CC3(C(C)(C)C)CC3)cc21 |
| InChI | InChI=1S/C17H21N.C16H22N2.3C16H20N2.C16H19N.2C15H18N2.C14H18F3N.2C14H18N2.C14H20.C13H18FN.3C13H19N.C12H16FN.C12H18N2.C12H18O.C12H18S/c1-16(2,3)17(8-9-17)12-13-6-7-15-14(11-13)5-4-10-18-15;1-15(2,3)16(7-8-16)10-12-5-6-13-14(9-12)18(4)11-17-13;1-15(2,3)16(7-8-16)11-12-4-5-13-6-9-17-18-14(13)10-12;2*1-15(2,3)16(6-7-16)11-12-4-5-13-14(10-12)18-9-8-17-13;1-15(2,3)16(8-9-16)13-7-6-12-5-4-10-17-14(12)11-13;1-14(2,3)15(7-8-15)12-4-5-13-11(10-12)6-9-16-17-13;1-14(2,3)15(6-7-15)11-4-5-12-13(10-11)17-9-8-16-12;1-12(2,3)13(6-7-13)8-11-5-4-10(9-18-11)14(15,16)17;1-13(2,3)14(6-7-14)11-4-5-12-10(8-11)9-15-16-12;1-13(2,3)14(6-7-14)10-4-5-11-12(8-10)16-9-15-11;1-13(2,3)14(9-10-14)11-12-7-5-4-6-8-12;1-12(2,3)13(6-7-13)8-11-5-4-10(14)9-15-11;1-12(2,3)13(6-7-13)10-11-4-8-14-9-5-11;1-12(2,3)13(6-7-13)9-11-5-4-8-14-10-11;1-12(2,3)13(7-8-13)10-11-6-4-5-9-14-11;1-11(2,3)12(4-5-12)9-6-10(13)8-14-7-9;1-11(2,3)12(5-6-12)8-10-4-7-13-14-9-10;2*1-11(2,3)12(6-7-12)9-10-5-4-8-13-10/h4-7,10-11H,8-9,12H2,1-3H3;5-6,9,11H,7-8,10H2,1-4H3;4-6,9-10H,7-8,11H2,1-3H3;2*4-5,8-10H,6-7,11H2,1-3H3;4-7,10-11H,8-9H2,1-3H3;4-6,9-10H,7-8H2,1-3H3;4-5,8-10H,6-7H2,1-3H3;4-5,9H,6-8H2,1-3H3;2*4-5,8-9H,6-7H2,1-3H3,(H,15,16);4-8H,9-11H2,1-3H3;4-5,9H,6-8H2,1-3H3;4-5,8-9H,6-7,10H2,1-3H3;4-5,8,10H,6-7,9H2,1-3H3;4-6,9H,7-8,10H2,1-3H3;6-8H,4-5H2,1-3H3;4,7,9H,5-6,8H2,1-3H3;2*4-5,8H,6-7,9H2,1-3H3 |
| InChIKey | SBFWBDBJRLTVFE-UHFFFAOYSA-N |
| XLogP | 75.92 |
| TPSA | 346.12 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 26 |
| Rotatable Bonds | 34 |
| Heavy Atoms | 316 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4286.37 |
| LogP ≤ 5 | 75.92 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 26 |