C124H84Cl4F6N18O10 — CID 160881114
N-[4-(6-benzamido-1H-benzimidazol-2-yl)phenyl]benzamide;3,4-dichloro-N-[4-[6-[(3,4-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide;4-[(2-hydroxyphenyl)iminomethyl]-N-[2-[4-[[4-[(2-hydroxyphenyl)methylideneamino]benzoyl]amino]phenyl]-1H-benzimidazol-5-yl]benzamide;4-(trifluoromethyl)-N-[4-[6-[[4-(trifluoromethyl)benzoyl]amino]-1H-benzimidazol-2-yl]phenyl]benzamide (PubChem CID 160881114) has the molecular formula C124H84Cl4F6N18O10 and a molecular weight of 2241.95 g/mol. Its IUPAC name is N-[4-(6-benzamido-1H-benzimidazol-2-yl)phenyl]benzamide;3,4-dichloro-N-[4-[6-[(3,4-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide;4-[(2-hydroxyphenyl)iminomethyl]-N-[2-[4-[[4-[(2-hydroxyphenyl)methylideneamino]benzoyl]amino]phenyl]-1H-benzimidazol-5-yl]benzamide;4-(trifluoromethyl)-N-[4-[6-[[4-(trifluoromethyl)benzoyl]amino]-1H-benzimidazol-2-yl]phenyl]benzamide.
| Compound Name | N-[4-(6-benzamido-1H-benzimidazol-2-yl)phenyl]benzamide;3,4-dichloro-N-[4-[6-[(3,4-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide;4-[(2-hydroxyphenyl)iminomethyl]-N-[2-[4-[[4-[(2-hydroxyphenyl)methylideneamino]benzoyl]amino]phenyl]-1H-benzimidazol-5-yl]benzamide;4-(trifluoromethyl)-N-[4-[6-[[4-(trifluoromethyl)benzoyl]amino]-1H-benzimidazol-2-yl]phenyl]benzamide |
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| PubChem CID | 160881114 |
| Molecular Formula | C124H84Cl4F6N18O10 |
| Molecular Weight | 2241.95 g/mol |
| Exact Mass | 2238.53 |
| IUPAC Name | N-[4-(6-benzamido-1H-benzimidazol-2-yl)phenyl]benzamide;3,4-dichloro-N-[4-[6-[(3,4-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide;4-[(2-hydroxyphenyl)iminomethyl]-N-[2-[4-[[4-[(2-hydroxyphenyl)methylideneamino]benzoyl]amino]phenyl]-1H-benzimidazol-5-yl]benzamide;4-(trifluoromethyl)-N-[4-[6-[[4-(trifluoromethyl)benzoyl]amino]-1H-benzimidazol-2-yl]phenyl]benzamide |
| SMILES | O=C(Nc1ccc(-c2nc3cc(NC(=O)c4ccc(/C=N/c5ccccc5O)cc4)ccc3[nH]2)cc1)c1ccc(/N=C/c2ccccc2O)cc1.O=C(Nc1ccc(-c2nc3ccc(NC(=O)c4ccc(C(F)(F)F)cc4)cc3[nH]2)cc1)c1ccc(C(F)(F)F)cc1.O=C(Nc1ccc(-c2nc3ccc(NC(=O)c4ccc(Cl)c(Cl)c4)cc3[nH]2)cc1)c1ccc(Cl)c(Cl)c1.O=C(Nc1ccc(-c2nc3ccc(NC(=O)c4ccccc4)cc3[nH]2)cc1)c1ccccc1 |
| InChI | InChI=1S/C41H30N6O4.C29H18F6N4O2.C27H16Cl4N4O2.C27H20N4O2/c48-37-7-3-1-5-30(37)25-42-31-17-15-29(16-18-31)40(50)44-32-19-13-27(14-20-32)39-46-34-22-21-33(23-36(34)47-39)45-41(51)28-11-9-26(10-12-28)24-43-35-6-2-4-8-38(35)49;30-28(31,32)19-7-1-17(2-8-19)26(40)36-21-11-5-16(6-12-21)25-38-23-14-13-22(15-24(23)39-25)37-27(41)18-3-9-20(10-4-18)29(33,34)35;28-19-8-3-15(11-21(19)30)26(36)32-17-5-1-14(2-6-17)25-34-23-10-7-18(13-24(23)35-25)33-27(37)16-4-9-20(29)22(31)12-16;32-26(19-7-3-1-4-8-19)28-21-13-11-18(12-14-21)25-30-23-16-15-22(17-24(23)31-25)29-27(33)20-9-5-2-6-10-20/h1-25,48-49H,(H,44,50)(H,45,51)(H,46,47);1-15H,(H,36,40)(H,37,41)(H,38,39);1-13H,(H,32,36)(H,33,37)(H,34,35);1-17H,(H,28,32)(H,29,33)(H,30,31)/b42-25+,43-24+;;; |
| InChIKey | SNARIFYOGYKQCV-ANQOHHEQSA-N |
| XLogP | 30.50 |
| TPSA | 412.70 Ų |
| H-Bond Donors | 14 |
| H-Bond Acceptors | 16 |
| Rotatable Bonds | 24 |
| Heavy Atoms | 162 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2241.95 |
| LogP ≤ 5 | 30.50 |
| H-Bond Donors ≤ 5 | 14 |
| H-Bond Acceptors ≤ 10 | 16 |
| Structural Alerts | {'alert_name': 'imine_phenol_A(3)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'} |
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