C265H213Cl2N39O18 — CID 158711789
N-[4-[6-(6-acetamido-1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]phenyl]acetamide;4-acetamido-N-[4-[6-[2-oxo-2-[4-(2-oxopropyl)phenyl]ethyl]-1H-benzimidazol-2-yl]phenyl]benzamide;N-[4-[5-[2-(4-aminophenyl)-2-oxoethyl]-4-chloro-1H-benzimidazol-2-yl]-2-chlorophenyl]-4-methylbenzamide;4-(benzylideneamino)-N-[4-[6-[2-[4-(benzylideneamino)phenyl]-2-oxoethyl]-1H-benzimidazol-2-yl]phenyl]benzamide;4-(dimethylamino)-N-[4-[6-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]-1H-benzimidazol-2-yl]phenyl]benzamide;2-[4-[4-(6-methyl-1H-benzimidazol-2-yl)phenoxy]phenyl]-3H-benzimidazol-5-amine;2-[4-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]-3H-benzimidazol-5-amine;methyl 4-[2-(2-phenyl-3H-benzimidazol-5-yl)acetyl]benzoate;N-[4-(6-phenacyl-1H-benzimidazol-2-yl)phenyl]benzamide (PubChem CID 158711789) has the molecular formula C265H213Cl2N39O18 and a molecular weight of 4302.78 g/mol. Its IUPAC name is N-[4-[6-(6-acetamido-1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]phenyl]acetamide;4-acetamido-N-[4-[6-[2-oxo-2-[4-(2-oxopropyl)phenyl]ethyl]-1H-benzimidazol-2-yl]phenyl]benzamide;N-[4-[5-[2-(4-aminophenyl)-2-oxoethyl]-4-chloro-1H-benzimidazol-2-yl]-2-chlorophenyl]-4-methylbenzamide;4-(benzylideneamino)-N-[4-[6-[2-[4-(benzylideneamino)phenyl]-2-oxoethyl]-1H-benzimidazol-2-yl]phenyl]benzamide;4-(dimethylamino)-N-[4-[6-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]-1H-benzimidazol-2-yl]phenyl]benzamide;2-[4-[4-(6-methyl-1H-benzimidazol-2-yl)phenoxy]phenyl]-3H-benzimidazol-5-amine;2-[4-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]-3H-benzimidazol-5-amine;methyl 4-[2-(2-phenyl-3H-benzimidazol-5-yl)acetyl]benzoate;N-[4-(6-phenacyl-1H-benzimidazol-2-yl)phenyl]benzamide.
| Compound Name | N-[4-[6-(6-acetamido-1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]phenyl]acetamide;4-acetamido-N-[4-[6-[2-oxo-2-[4-(2-oxopropyl)phenyl]ethyl]-1H-benzimidazol-2-yl]phenyl]benzamide;N-[4-[5-[2-(4-aminophenyl)-2-oxoethyl]-4-chloro-1H-benzimidazol-2-yl]-2-chlorophenyl]-4-methylbenzamide;4-(benzylideneamino)-N-[4-[6-[2-[4-(benzylideneamino)phenyl]-2-oxoethyl]-1H-benzimidazol-2-yl]phenyl]benzamide;4-(dimethylamino)-N-[4-[6-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]-1H-benzimidazol-2-yl]phenyl]benzamide;2-[4-[4-(6-methyl-1H-benzimidazol-2-yl)phenoxy]phenyl]-3H-benzimidazol-5-amine;2-[4-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]-3H-benzimidazol-5-amine;methyl 4-[2-(2-phenyl-3H-benzimidazol-5-yl)acetyl]benzoate;N-[4-(6-phenacyl-1H-benzimidazol-2-yl)phenyl]benzamide |
|---|---|
| PubChem CID | 158711789 |
| Molecular Formula | C265H213Cl2N39O18 |
| Molecular Weight | 4302.78 g/mol |
| Exact Mass | 4298.63 |
| IUPAC Name | N-[4-[6-(6-acetamido-1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]phenyl]acetamide;4-acetamido-N-[4-[6-[2-oxo-2-[4-(2-oxopropyl)phenyl]ethyl]-1H-benzimidazol-2-yl]phenyl]benzamide;N-[4-[5-[2-(4-aminophenyl)-2-oxoethyl]-4-chloro-1H-benzimidazol-2-yl]-2-chlorophenyl]-4-methylbenzamide;4-(benzylideneamino)-N-[4-[6-[2-[4-(benzylideneamino)phenyl]-2-oxoethyl]-1H-benzimidazol-2-yl]phenyl]benzamide;4-(dimethylamino)-N-[4-[6-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]-1H-benzimidazol-2-yl]phenyl]benzamide;2-[4-[4-(6-methyl-1H-benzimidazol-2-yl)phenoxy]phenyl]-3H-benzimidazol-5-amine;2-[4-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]-3H-benzimidazol-5-amine;methyl 4-[2-(2-phenyl-3H-benzimidazol-5-yl)acetyl]benzoate;N-[4-(6-phenacyl-1H-benzimidazol-2-yl)phenyl]benzamide |
| SMILES | CC(=O)Cc1ccc(C(=O)Cc2ccc3nc(-c4ccc(NC(=O)c5ccc(NC(C)=O)cc5)cc4)[nH]c3c2)cc1.CC(=O)Nc1ccc(-c2nc3ccc(-c4nc5ccc(NC(C)=O)cc5[nH]4)cc3[nH]2)cc1.CN(C)c1ccc(C(=O)Cc2ccc3nc(-c4ccc(NC(=O)c5ccc(N(C)C)cc5)cc4)[nH]c3c2)cc1.COC(=O)c1ccc(C(=O)Cc2ccc3nc(-c4ccccc4)[nH]c3c2)cc1.Cc1ccc(C(=O)Nc2ccc(-c3nc4c(Cl)c(CC(=O)c5ccc(N)cc5)ccc4[nH]3)cc2Cl)cc1.Cc1ccc2nc(-c3ccc(-c4ccc(-c5nc6ccc(N)cc6[nH]5)cc4)cc3)[nH]c2c1.Cc1ccc2nc(-c3ccc(Oc4ccc(-c5nc6ccc(N)cc6[nH]5)cc4)cc3)[nH]c2c1.O=C(Cc1ccc2nc(-c3ccc(NC(=O)c4ccc(/N=C/c5ccccc5)cc4)cc3)[nH]c2c1)c1ccc(/N=C/c2ccccc2)cc1.O=C(Cc1ccc2nc(-c3ccc(NC(=O)c4ccccc4)cc3)[nH]c2c1)c1ccccc1 |
| InChI | InChI=1S/C42H31N5O2.C33H28N4O4.C32H31N5O2.C29H22Cl2N4O2.C28H21N3O2.C27H21N5O.C27H21N5.C24H20N6O2.C23H18N2O3/c48-40(32-12-18-35(19-13-32)43-27-29-7-3-1-4-8-29)26-31-11-24-38-39(25-31)47-41(46-38)33-14-22-37(23-15-33)45-42(49)34-16-20-36(21-17-34)44-28-30-9-5-2-6-10-30;1-20(38)17-22-3-6-24(7-4-22)31(40)19-23-5-16-29-30(18-23)37-32(36-29)25-8-12-28(13-9-25)35-33(41)26-10-14-27(15-11-26)34-21(2)39;1-36(2)26-14-8-22(9-15-26)30(38)20-21-5-18-28-29(19-21)35-31(34-28)23-6-12-25(13-7-23)33-32(39)24-10-16-27(17-11-24)37(3)4;1-16-2-4-18(5-3-16)29(37)34-23-12-9-20(14-22(23)30)28-33-24-13-8-19(26(31)27(24)35-28)15-25(36)17-6-10-21(32)11-7-17;32-26(20-7-3-1-4-8-20)18-19-11-16-24-25(17-19)31-27(30-24)21-12-14-23(15-13-21)29-28(33)22-9-5-2-6-10-22;1-16-2-12-22-24(14-16)31-26(29-22)17-3-8-20(9-4-17)33-21-10-5-18(6-11-21)27-30-23-13-7-19(28)15-25(23)32-27;1-16-2-12-22-24(14-16)31-26(29-22)19-7-3-17(4-8-19)18-5-9-20(10-6-18)27-30-23-13-11-21(28)15-25(23)32-27;1-13(31)25-17-6-3-15(4-7-17)23-27-19-9-5-16(11-21(19)29-23)24-28-20-10-8-18(26-14(2)32)12-22(20)30-24;1-28-23(27)18-10-8-16(9-11-18)21(26)14-15-7-12-19-20(13-15)25-22(24-19)17-5-3-2-4-6-17/h1-25,27-28H,26H2,(H,45,49)(H,46,47);3-16,18H,17,19H2,1-2H3,(H,34,39)(H,35,41)(H,36,37);5-19H,20H2,1-4H3,(H,33,39)(H,34,35);2-14H,15,32H2,1H3,(H,33,35)(H,34,37);1-17H,18H2,(H,29,33)(H,30,31);2-15H,28H2,1H3,(H,29,31)(H,30,32);2-15H,28H2,1H3,(H,29,31)(H,30,32);3-12H,1-2H3,(H,25,31)(H,26,32)(H,27,29)(H,28,30);2-13H,14H2,1H3,(H,24,25)/b43-27+,44-28+;;;;;;;; |
| InChIKey | IIUVWAXXCLFQCE-WJEJKZFISA-N |
| XLogP | 56.38 |
| TPSA | 841.24 Ų |
| H-Bond Donors | 23 |
| H-Bond Acceptors | 37 |
| Rotatable Bonds | 55 |
| Heavy Atoms | 324 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4302.78 |
| LogP ≤ 5 | 56.38 |
| H-Bond Donors ≤ 5 | 23 |
| H-Bond Acceptors ≤ 10 | 37 |