C81H112ClF2N11O10S2U — CID 159206319
4-[[6-(5-aminopentylsulfonylamino)-1H-benzimidazol-2-yl]methyl]-N-[(2-fluorophenyl)methyl]cyclohexane-1-carboxamide;5-(1,3-dioxoisoindol-2-yl)pentane-1-sulfonyl chloride;N-[(2-fluorophenyl)methyl]-4-[(6-methyl-1H-benzimidazol-2-yl)methyl]cyclohexane-1-carboxamide;1-(2-hydroperoxyethyl)-4-methylcyclohexane;methane;4-methylbenzene-1,2-diamine;uranium (PubChem CID 159206319) has the molecular formula C81H112ClF2N11O10S2U and a molecular weight of 1775.47 g/mol. Its IUPAC name is 4-[[6-(5-aminopentylsulfonylamino)-1H-benzimidazol-2-yl]methyl]-N-[(2-fluorophenyl)methyl]cyclohexane-1-carboxamide;5-(1,3-dioxoisoindol-2-yl)pentane-1-sulfonyl chloride;N-[(2-fluorophenyl)methyl]-4-[(6-methyl-1H-benzimidazol-2-yl)methyl]cyclohexane-1-carboxamide;1-(2-hydroperoxyethyl)-4-methylcyclohexane;methane;4-methylbenzene-1,2-diamine;uranium.
| Compound Name | 4-[[6-(5-aminopentylsulfonylamino)-1H-benzimidazol-2-yl]methyl]-N-[(2-fluorophenyl)methyl]cyclohexane-1-carboxamide;5-(1,3-dioxoisoindol-2-yl)pentane-1-sulfonyl chloride;N-[(2-fluorophenyl)methyl]-4-[(6-methyl-1H-benzimidazol-2-yl)methyl]cyclohexane-1-carboxamide;1-(2-hydroperoxyethyl)-4-methylcyclohexane;methane;4-methylbenzene-1,2-diamine;uranium |
|---|---|
| PubChem CID | 159206319 |
| Molecular Formula | C81H112ClF2N11O10S2U |
| Molecular Weight | 1775.47 g/mol |
| Exact Mass | 1773.82 |
| IUPAC Name | 4-[[6-(5-aminopentylsulfonylamino)-1H-benzimidazol-2-yl]methyl]-N-[(2-fluorophenyl)methyl]cyclohexane-1-carboxamide;5-(1,3-dioxoisoindol-2-yl)pentane-1-sulfonyl chloride;N-[(2-fluorophenyl)methyl]-4-[(6-methyl-1H-benzimidazol-2-yl)methyl]cyclohexane-1-carboxamide;1-(2-hydroperoxyethyl)-4-methylcyclohexane;methane;4-methylbenzene-1,2-diamine;uranium |
| SMILES | C.C.CC1CCC(CCOO)CC1.Cc1ccc(N)c(N)c1.Cc1ccc2nc(CC3CCC(C(=O)NCc4ccccc4F)CC3)[nH]c2c1.NCCCCCS(=O)(=O)Nc1ccc2nc(CC3CCC(C(=O)NCc4ccccc4F)CC3)[nH]c2c1.O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)Cl.[U] |
| InChI | InChI=1S/C27H36FN5O3S.C23H26FN3O.C13H14ClNO4S.C9H18O2.C7H10N2.2CH4.U/c28-23-7-3-2-6-21(23)18-30-27(34)20-10-8-19(9-11-20)16-26-31-24-13-12-22(17-25(24)32-26)33-37(35,36)15-5-1-4-14-29;1-15-6-11-20-21(12-15)27-22(26-20)13-16-7-9-17(10-8-16)23(28)25-14-18-4-2-3-5-19(18)24;14-20(18,19)9-5-1-4-8-15-12(16)10-6-2-3-7-11(10)13(15)17;1-8-2-4-9(5-3-8)6-7-11-10;1-5-2-3-6(8)7(9)4-5;;;/h2-3,6-7,12-13,17,19-20,33H,1,4-5,8-11,14-16,18,29H2,(H,30,34)(H,31,32);2-6,11-12,16-17H,7-10,13-14H2,1H3,(H,25,28)(H,26,27);2-3,6-7H,1,4-5,8-9H2;8-10H,2-7H2,1H3;2-4H,8-9H2,1H3;2*1H4; |
| InChIKey | KPXXPOSQBCQBRU-UHFFFAOYSA-N |
| XLogP | 16.06 |
| TPSA | 340.77 Ų |
| H-Bond Donors | 9 |
| H-Bond Acceptors | 15 |
| Rotatable Bonds | 26 |
| Heavy Atoms | 108 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1775.47 |
| LogP ≤ 5 | 16.06 |
| H-Bond Donors ≤ 5 | 9 |
| H-Bond Acceptors ≤ 10 | 15 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'} |
|---|