C164H124Cl2N28O12 — CID 161294934
4-amino-N-[4-[6-[(4-aminobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide;4-amino-N-[4-[5-[(4-aminobenzoyl)amino]-4-chloro-1H-benzimidazol-2-yl]phenyl]benzamide;N-[2-[4-[[4-(benzylideneamino)benzoyl]amino]phenyl]-1H-benzimidazol-5-yl]-4-(phenyliminomethyl)benzamide;N-[4-[6-[(4-chlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]-3-methylbenzamide;4-[(2-hydroxyphenyl)iminomethyl]-N-[2-[4-[[4-[(2-hydroxyphenyl)methylideneamino]benzoyl]amino]phenyl]-1H-benzimidazol-5-yl]benzamide (PubChem CID 161294934) has the molecular formula C164H124Cl2N28O12 and a molecular weight of 2749.89 g/mol. Its IUPAC name is 4-amino-N-[4-[6-[(4-aminobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide;4-amino-N-[4-[5-[(4-aminobenzoyl)amino]-4-chloro-1H-benzimidazol-2-yl]phenyl]benzamide;N-[2-[4-[[4-(benzylideneamino)benzoyl]amino]phenyl]-1H-benzimidazol-5-yl]-4-(phenyliminomethyl)benzamide;N-[4-[6-[(4-chlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]-3-methylbenzamide;4-[(2-hydroxyphenyl)iminomethyl]-N-[2-[4-[[4-[(2-hydroxyphenyl)methylideneamino]benzoyl]amino]phenyl]-1H-benzimidazol-5-yl]benzamide.
| Compound Name | 4-amino-N-[4-[6-[(4-aminobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide;4-amino-N-[4-[5-[(4-aminobenzoyl)amino]-4-chloro-1H-benzimidazol-2-yl]phenyl]benzamide;N-[2-[4-[[4-(benzylideneamino)benzoyl]amino]phenyl]-1H-benzimidazol-5-yl]-4-(phenyliminomethyl)benzamide;N-[4-[6-[(4-chlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]-3-methylbenzamide;4-[(2-hydroxyphenyl)iminomethyl]-N-[2-[4-[[4-[(2-hydroxyphenyl)methylideneamino]benzoyl]amino]phenyl]-1H-benzimidazol-5-yl]benzamide |
|---|---|
| PubChem CID | 161294934 |
| Molecular Formula | C164H124Cl2N28O12 |
| Molecular Weight | 2749.89 g/mol |
| Exact Mass | 2746.93 |
| IUPAC Name | 4-amino-N-[4-[6-[(4-aminobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide;4-amino-N-[4-[5-[(4-aminobenzoyl)amino]-4-chloro-1H-benzimidazol-2-yl]phenyl]benzamide;N-[2-[4-[[4-(benzylideneamino)benzoyl]amino]phenyl]-1H-benzimidazol-5-yl]-4-(phenyliminomethyl)benzamide;N-[4-[6-[(4-chlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]-3-methylbenzamide;4-[(2-hydroxyphenyl)iminomethyl]-N-[2-[4-[[4-[(2-hydroxyphenyl)methylideneamino]benzoyl]amino]phenyl]-1H-benzimidazol-5-yl]benzamide |
| SMILES | Cc1cccc(C(=O)Nc2ccc(-c3nc4ccc(NC(=O)c5ccc(Cl)cc5)cc4[nH]3)cc2)c1.Nc1ccc(C(=O)Nc2ccc(-c3nc4c(Cl)c(NC(=O)c5ccc(N)cc5)ccc4[nH]3)cc2)cc1.Nc1ccc(C(=O)Nc2ccc(-c3nc4ccc(NC(=O)c5ccc(N)cc5)cc4[nH]3)cc2)cc1.O=C(Nc1ccc(-c2nc3cc(NC(=O)c4ccc(/C=N/c5ccccc5)cc4)ccc3[nH]2)cc1)c1ccc(/N=C/c2ccccc2)cc1.O=C(Nc1ccc(-c2nc3cc(NC(=O)c4ccc(/C=N/c5ccccc5O)cc4)ccc3[nH]2)cc1)c1ccc(/N=C/c2ccccc2O)cc1 |
| InChI | InChI=1S/C41H30N6O4.C41H30N6O2.C28H21ClN4O2.C27H21ClN6O2.C27H22N6O2/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;48-40(32-17-19-34(20-18-32)43-26-28-7-3-1-4-8-28)44-35-21-15-30(16-22-35)39-46-37-24-23-36(25-38(37)47-39)45-41(49)31-13-11-29(12-14-31)27-42-33-9-5-2-6-10-33;1-17-3-2-4-20(15-17)28(35)30-22-11-7-18(8-12-22)26-32-24-14-13-23(16-25(24)33-26)31-27(34)19-5-9-21(29)10-6-19;28-23-21(33-27(36)17-3-9-19(30)10-4-17)13-14-22-24(23)34-25(32-22)15-5-11-20(12-6-15)31-26(35)16-1-7-18(29)8-2-16;28-19-7-1-17(2-8-19)26(34)30-21-11-5-16(6-12-21)25-32-23-14-13-22(15-24(23)33-25)31-27(35)18-3-9-20(29)10-4-18/h1-25,48-49H,(H,44,50)(H,45,51)(H,46,47);1-27H,(H,44,48)(H,45,49)(H,46,47);2-16H,1H3,(H,30,35)(H,31,34)(H,32,33);1-14H,29-30H2,(H,31,35)(H,32,34)(H,33,36);1-15H,28-29H2,(H,30,34)(H,31,35)(H,32,33)/b42-25+,43-24+;42-27+,43-26+;;; |
| InChIKey | VGVRVLVDBCYVHS-VAGDGWJESA-N |
| XLogP | 35.03 |
| TPSA | 628.38 Ų |
| H-Bond Donors | 21 |
| H-Bond Acceptors | 25 |
| Rotatable Bonds | 33 |
| Heavy Atoms | 206 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2749.89 |
| LogP ≤ 5 | 35.03 |
| H-Bond Donors ≤ 5 | 21 |
| H-Bond Acceptors ≤ 10 | 25 |
| Structural Alerts | {'alert_name': 'imine_phenol_A(3)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'} |
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