C147H164F5N29O14 — CID 158875757
4-[[1-(cycloheptylmethyl)benzimidazol-2-yl]amino]-N-hydroxybenzamide;4-[[1-(cyclohexylmethyl)benzimidazol-2-yl]amino]-2-fluoro-N-hydroxybenzamide;4-[[1-(cyclohexylmethyl)benzimidazol-2-yl]amino]-3-fluoro-N-hydroxybenzamide;4-[[1-(cyclohexylmethyl)-5-fluorobenzimidazol-2-yl]amino]-N-hydroxybenzamide;4-[[1-(cyclopentylmethyl)benzimidazol-2-yl]amino]-N-hydroxybenzamide;4-[[1-[(4,4-difluorocyclohexyl)methyl]benzimidazol-2-yl]amino]-N-hydroxybenzamide;N-hydroxy-4-[[1-[(1-methylpiperidin-4-yl)methyl]benzimidazol-2-yl]amino]benzamide (PubChem CID 158875757) has the molecular formula C147H164F5N29O14 and a molecular weight of 2656.11 g/mol. Its IUPAC name is 4-[[1-(cycloheptylmethyl)benzimidazol-2-yl]amino]-N-hydroxybenzamide;4-[[1-(cyclohexylmethyl)benzimidazol-2-yl]amino]-2-fluoro-N-hydroxybenzamide;4-[[1-(cyclohexylmethyl)benzimidazol-2-yl]amino]-3-fluoro-N-hydroxybenzamide;4-[[1-(cyclohexylmethyl)-5-fluorobenzimidazol-2-yl]amino]-N-hydroxybenzamide;4-[[1-(cyclopentylmethyl)benzimidazol-2-yl]amino]-N-hydroxybenzamide;4-[[1-[(4,4-difluorocyclohexyl)methyl]benzimidazol-2-yl]amino]-N-hydroxybenzamide;N-hydroxy-4-[[1-[(1-methylpiperidin-4-yl)methyl]benzimidazol-2-yl]amino]benzamide.
| Compound Name | 4-[[1-(cycloheptylmethyl)benzimidazol-2-yl]amino]-N-hydroxybenzamide;4-[[1-(cyclohexylmethyl)benzimidazol-2-yl]amino]-2-fluoro-N-hydroxybenzamide;4-[[1-(cyclohexylmethyl)benzimidazol-2-yl]amino]-3-fluoro-N-hydroxybenzamide;4-[[1-(cyclohexylmethyl)-5-fluorobenzimidazol-2-yl]amino]-N-hydroxybenzamide;4-[[1-(cyclopentylmethyl)benzimidazol-2-yl]amino]-N-hydroxybenzamide;4-[[1-[(4,4-difluorocyclohexyl)methyl]benzimidazol-2-yl]amino]-N-hydroxybenzamide;N-hydroxy-4-[[1-[(1-methylpiperidin-4-yl)methyl]benzimidazol-2-yl]amino]benzamide |
|---|---|
| PubChem CID | 158875757 |
| Molecular Formula | C147H164F5N29O14 |
| Molecular Weight | 2656.11 g/mol |
| Exact Mass | 2654.29 |
| IUPAC Name | 4-[[1-(cycloheptylmethyl)benzimidazol-2-yl]amino]-N-hydroxybenzamide;4-[[1-(cyclohexylmethyl)benzimidazol-2-yl]amino]-2-fluoro-N-hydroxybenzamide;4-[[1-(cyclohexylmethyl)benzimidazol-2-yl]amino]-3-fluoro-N-hydroxybenzamide;4-[[1-(cyclohexylmethyl)-5-fluorobenzimidazol-2-yl]amino]-N-hydroxybenzamide;4-[[1-(cyclopentylmethyl)benzimidazol-2-yl]amino]-N-hydroxybenzamide;4-[[1-[(4,4-difluorocyclohexyl)methyl]benzimidazol-2-yl]amino]-N-hydroxybenzamide;N-hydroxy-4-[[1-[(1-methylpiperidin-4-yl)methyl]benzimidazol-2-yl]amino]benzamide |
| SMILES | CN1CCC(Cn2c(Nc3ccc(C(=O)NO)cc3)nc3ccccc32)CC1.O=C(NO)c1ccc(Nc2nc3cc(F)ccc3n2CC2CCCCC2)cc1.O=C(NO)c1ccc(Nc2nc3ccccc3n2CC2CCC(F)(F)CC2)cc1.O=C(NO)c1ccc(Nc2nc3ccccc3n2CC2CCCC2)cc1.O=C(NO)c1ccc(Nc2nc3ccccc3n2CC2CCCCC2)c(F)c1.O=C(NO)c1ccc(Nc2nc3ccccc3n2CC2CCCCC2)cc1F.O=C(NO)c1ccc(Nc2nc3ccccc3n2CC2CCCCCC2)cc1 |
| InChI | InChI=1S/C22H26N4O2.C21H22F2N4O2.3C21H23FN4O2.C21H25N5O2.C20H22N4O2/c27-21(25-28)17-11-13-18(14-12-17)23-22-24-19-9-5-6-10-20(19)26(22)15-16-7-3-1-2-4-8-16;22-21(23)11-9-14(10-12-21)13-27-18-4-2-1-3-17(18)25-20(27)24-16-7-5-15(6-8-16)19(28)26-29;22-16-12-15(20(27)25-28)10-11-17(16)23-21-24-18-8-4-5-9-19(18)26(21)13-14-6-2-1-3-7-14;22-17-12-15(10-11-16(17)20(27)25-28)23-21-24-18-8-4-5-9-19(18)26(21)13-14-6-2-1-3-7-14;22-16-8-11-19-18(12-16)24-21(26(19)13-14-4-2-1-3-5-14)23-17-9-6-15(7-10-17)20(27)25-28;1-25-12-10-15(11-13-25)14-26-19-5-3-2-4-18(19)23-21(26)22-17-8-6-16(7-9-17)20(27)24-28;25-19(23-26)15-9-11-16(12-10-15)21-20-22-17-7-3-4-8-18(17)24(20)13-14-5-1-2-6-14/h5-6,9-14,16,28H,1-4,7-8,15H2,(H,23,24)(H,25,27);1-8,14,29H,9-13H2,(H,24,25)(H,26,28);2*4-5,8-12,14,28H,1-3,6-7,13H2,(H,23,24)(H,25,27);6-12,14,28H,1-5,13H2,(H,23,24)(H,25,27);2-9,15,28H,10-14H2,1H3,(H,22,23)(H,24,27);3-4,7-12,14,26H,1-2,5-6,13H2,(H,21,22)(H,23,25) |
| InChIKey | JCKISOUPRONXCJ-UHFFFAOYSA-N |
| XLogP | 30.78 |
| TPSA | 557.50 Ų |
| H-Bond Donors | 21 |
| H-Bond Acceptors | 36 |
| Rotatable Bonds | 35 |
| Heavy Atoms | 195 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2656.11 |
| LogP ≤ 5 | 30.78 |
| H-Bond Donors ≤ 5 | 21 |
| H-Bond Acceptors ≤ 10 | 36 |
| Structural Alerts | {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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