C175H181F3N28 — CID 158747726
1-(1H-benzimidazol-2-yl)-N-butan-2-ylmethanimine;1-(1H-benzimidazol-2-yl)-N-cyclobutylmethanimine;1-(1H-benzimidazol-2-yl)-N-hexylmethanimine;N-butan-2-yl-1-(1-methylbenzimidazol-2-yl)methanimine;N-cyclobutyl-1-(4,7-diphenyl-1H-benzimidazol-2-yl)methanimine;1-(4,7-diphenyl-1H-benzimidazol-2-yl)-N-hexylmethanimine;1-(4,7-diphenyl-1H-benzimidazol-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanimine;N-hexyl-1-(1-methyl-4,7-diphenylbenzimidazol-2-yl)methanimine;1-(1-methylbenzimidazol-2-yl)-N-(2-pyrrolidin-1-ylphenyl)methanimine (PubChem CID 158747726) has the molecular formula C175H181F3N28 and a molecular weight of 2733.56 g/mol. Its IUPAC name is 1-(1H-benzimidazol-2-yl)-N-butan-2-ylmethanimine;1-(1H-benzimidazol-2-yl)-N-cyclobutylmethanimine;1-(1H-benzimidazol-2-yl)-N-hexylmethanimine;N-butan-2-yl-1-(1-methylbenzimidazol-2-yl)methanimine;N-cyclobutyl-1-(4,7-diphenyl-1H-benzimidazol-2-yl)methanimine;1-(4,7-diphenyl-1H-benzimidazol-2-yl)-N-hexylmethanimine;1-(4,7-diphenyl-1H-benzimidazol-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanimine;N-hexyl-1-(1-methyl-4,7-diphenylbenzimidazol-2-yl)methanimine;1-(1-methylbenzimidazol-2-yl)-N-(2-pyrrolidin-1-ylphenyl)methanimine.
| Compound Name | 1-(1H-benzimidazol-2-yl)-N-butan-2-ylmethanimine;1-(1H-benzimidazol-2-yl)-N-cyclobutylmethanimine;1-(1H-benzimidazol-2-yl)-N-hexylmethanimine;N-butan-2-yl-1-(1-methylbenzimidazol-2-yl)methanimine;N-cyclobutyl-1-(4,7-diphenyl-1H-benzimidazol-2-yl)methanimine;1-(4,7-diphenyl-1H-benzimidazol-2-yl)-N-hexylmethanimine;1-(4,7-diphenyl-1H-benzimidazol-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanimine;N-hexyl-1-(1-methyl-4,7-diphenylbenzimidazol-2-yl)methanimine;1-(1-methylbenzimidazol-2-yl)-N-(2-pyrrolidin-1-ylphenyl)methanimine |
|---|---|
| PubChem CID | 158747726 |
| Molecular Formula | C175H181F3N28 |
| Molecular Weight | 2733.56 g/mol |
| Exact Mass | 2731.50 |
| IUPAC Name | 1-(1H-benzimidazol-2-yl)-N-butan-2-ylmethanimine;1-(1H-benzimidazol-2-yl)-N-cyclobutylmethanimine;1-(1H-benzimidazol-2-yl)-N-hexylmethanimine;N-butan-2-yl-1-(1-methylbenzimidazol-2-yl)methanimine;N-cyclobutyl-1-(4,7-diphenyl-1H-benzimidazol-2-yl)methanimine;1-(4,7-diphenyl-1H-benzimidazol-2-yl)-N-hexylmethanimine;1-(4,7-diphenyl-1H-benzimidazol-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanimine;N-hexyl-1-(1-methyl-4,7-diphenylbenzimidazol-2-yl)methanimine;1-(1-methylbenzimidazol-2-yl)-N-(2-pyrrolidin-1-ylphenyl)methanimine |
| SMILES | C(=N/C1CCC1)\c1nc2c(-c3ccccc3)ccc(-c3ccccc3)c2[nH]1.C(=N/C1CCC1)\c1nc2ccccc2[nH]1.CCC(C)/N=C/c1nc2ccccc2[nH]1.CCC(C)/N=C/c1nc2ccccc2n1C.CCCCCC/N=C/c1nc2c(-c3ccccc3)ccc(-c3ccccc3)c2[nH]1.CCCCCC/N=C/c1nc2c(-c3ccccc3)ccc(-c3ccccc3)c2n1C.CCCCCC/N=C/c1nc2ccccc2[nH]1.Cn1c(/C=N/c2ccccc2N2CCCC2)nc2ccccc21.FC(F)(F)c1ccccc1C/N=C/c1nc2c(-c3ccccc3)ccc(-c3ccccc3)c2[nH]1 |
| InChI | InChI=1S/C28H20F3N3.C27H29N3.C26H27N3.C24H21N3.C19H20N4.C14H19N3.C13H17N3.C12H13N3.C12H15N3/c29-28(30,31)24-14-8-7-13-21(24)17-32-18-25-33-26-22(19-9-3-1-4-10-19)15-16-23(27(26)34-25)20-11-5-2-6-12-20;1-3-4-5-12-19-28-20-25-29-26-23(21-13-8-6-9-14-21)17-18-24(27(26)30(25)2)22-15-10-7-11-16-22;1-2-3-4-11-18-27-19-24-28-25-22(20-12-7-5-8-13-20)16-17-23(26(25)29-24)21-14-9-6-10-15-21;1-3-8-17(9-4-1)20-14-15-21(18-10-5-2-6-11-18)24-23(20)26-22(27-24)16-25-19-12-7-13-19;1-22-17-10-4-3-9-16(17)21-19(22)14-20-15-8-2-5-11-18(15)23-12-6-7-13-23;1-2-3-4-7-10-15-11-14-16-12-8-5-6-9-13(12)17-14;1-4-10(2)14-9-13-15-11-7-5-6-8-12(11)16(13)3;1-2-7-11-10(6-1)14-12(15-11)8-13-9-4-3-5-9;1-3-9(2)13-8-12-14-10-6-4-5-7-11(10)15-12/h1-16,18H,17H2,(H,33,34);6-11,13-18,20H,3-5,12,19H2,1-2H3;5-10,12-17,19H,2-4,11,18H2,1H3,(H,28,29);1-6,8-11,14-16,19H,7,12-13H2,(H,26,27);2-5,8-11,14H,6-7,12-13H2,1H3;5-6,8-9,11H,2-4,7,10H2,1H3,(H,16,17);5-10H,4H2,1-3H3;1-2,6-9H,3-5H2,(H,14,15);4-9H,3H2,1-2H3,(H,14,15)/b32-18+;28-20+;27-19+;25-16+;20-14+;15-11+;14-9+;2*13-8+ |
| InChIKey | INBXAGHCXNDADC-PSVXODBNSA-N |
| XLogP | 42.80 |
| TPSA | 340.02 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 22 |
| Rotatable Bonds | 42 |
| Heavy Atoms | 206 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2733.56 |
| LogP ≤ 5 | 42.80 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 22 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'} |
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