C163H132Cl2N22O12 — CID 158020633
4-acetamido-N-[4-[6-[2-oxo-2-[4-(2-oxopropyl)phenyl]ethyl]-1H-benzimidazol-2-yl]phenyl]benzamide;4-amino-N-[4-[5-[2-(4-aminophenyl)-2-oxoethyl]-4-chloro-1H-benzimidazol-2-yl]-2-chlorophenyl]benzamide;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;N-[4-(6-phenacyl-1H-benzimidazol-2-yl)phenyl]benzamide (PubChem CID 158020633) has the molecular formula C163H132Cl2N22O12 and a molecular weight of 2661.90 g/mol. Its IUPAC name is 4-acetamido-N-[4-[6-[2-oxo-2-[4-(2-oxopropyl)phenyl]ethyl]-1H-benzimidazol-2-yl]phenyl]benzamide;4-amino-N-[4-[5-[2-(4-aminophenyl)-2-oxoethyl]-4-chloro-1H-benzimidazol-2-yl]-2-chlorophenyl]benzamide;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;N-[4-(6-phenacyl-1H-benzimidazol-2-yl)phenyl]benzamide.
| Compound Name | 4-acetamido-N-[4-[6-[2-oxo-2-[4-(2-oxopropyl)phenyl]ethyl]-1H-benzimidazol-2-yl]phenyl]benzamide;4-amino-N-[4-[5-[2-(4-aminophenyl)-2-oxoethyl]-4-chloro-1H-benzimidazol-2-yl]-2-chlorophenyl]benzamide;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;N-[4-(6-phenacyl-1H-benzimidazol-2-yl)phenyl]benzamide |
|---|---|
| PubChem CID | 158020633 |
| Molecular Formula | C163H132Cl2N22O12 |
| Molecular Weight | 2661.90 g/mol |
| Exact Mass | 2658.98 |
| IUPAC Name | 4-acetamido-N-[4-[6-[2-oxo-2-[4-(2-oxopropyl)phenyl]ethyl]-1H-benzimidazol-2-yl]phenyl]benzamide;4-amino-N-[4-[5-[2-(4-aminophenyl)-2-oxoethyl]-4-chloro-1H-benzimidazol-2-yl]-2-chlorophenyl]benzamide;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;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.CN(C)c1ccc(C(=O)Cc2ccc3nc(-c4ccc(NC(=O)c5ccc(N(C)C)cc5)cc4)[nH]c3c2)cc1.Nc1ccc(C(=O)Cc2ccc3[nH]c(-c4ccc(NC(=O)c5ccc(N)cc5)c(Cl)c4)nc3c2Cl)cc1.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.C28H21Cl2N5O2.C28H21N3O2/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;29-21-13-18(6-11-22(21)34-28(37)16-3-9-20(32)10-4-16)27-33-23-12-5-17(25(30)26(23)35-27)14-24(36)15-1-7-19(31)8-2-15;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/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);1-13H,14,31-32H2,(H,33,35)(H,34,37);1-17H,18H2,(H,29,33)(H,30,31)/b43-27+,44-28+;;;; |
| InChIKey | FGABVGVBWNVZRS-PRJMUQNESA-N |
| XLogP | 33.73 |
| TPSA | 503.66 Ų |
| H-Bond Donors | 13 |
| H-Bond Acceptors | 23 |
| Rotatable Bonds | 39 |
| Heavy Atoms | 199 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2661.90 |
| LogP ≤ 5 | 33.73 |
| H-Bond Donors ≤ 5 | 13 |
| H-Bond Acceptors ≤ 10 | 23 |
| Structural Alerts | {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'} |
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