C211H169Cl7F4N30O14 — CID 159069223
N-[4-[5-benzamido-1-[3-(dimethylamino)propyl]benzimidazol-2-yl]phenyl]benzamide;N-[4-[6-[(4-chlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]-4-methylbenzamide;3-chloro-N-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]-4-methylbenzamide;3-chloro-N-[4-[6-[(3,4-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]-4-methylbenzamide;6-chloro-2-(2-methoxy-4-methylphenyl)-1H-benzimidazole;N-[4-[6-[(4-fluorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]-4-methylbenzamide;methane;4-methyl-N-[4-[6-[(4-methylbenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide;4-methyl-N-[4-[6-[[4-(trifluoromethyl)benzoyl]amino]-1H-benzimidazol-2-yl]phenyl]benzamide (PubChem CID 159069223) has the molecular formula C211H169Cl7F4N30O14 and a molecular weight of 3673.03 g/mol. Its IUPAC name is N-[4-[5-benzamido-1-[3-(dimethylamino)propyl]benzimidazol-2-yl]phenyl]benzamide;N-[4-[6-[(4-chlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]-4-methylbenzamide;3-chloro-N-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]-4-methylbenzamide;3-chloro-N-[4-[6-[(3,4-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]-4-methylbenzamide;6-chloro-2-(2-methoxy-4-methylphenyl)-1H-benzimidazole;N-[4-[6-[(4-fluorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]-4-methylbenzamide;methane;4-methyl-N-[4-[6-[(4-methylbenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide;4-methyl-N-[4-[6-[[4-(trifluoromethyl)benzoyl]amino]-1H-benzimidazol-2-yl]phenyl]benzamide.
| Compound Name | N-[4-[5-benzamido-1-[3-(dimethylamino)propyl]benzimidazol-2-yl]phenyl]benzamide;N-[4-[6-[(4-chlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]-4-methylbenzamide;3-chloro-N-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]-4-methylbenzamide;3-chloro-N-[4-[6-[(3,4-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]-4-methylbenzamide;6-chloro-2-(2-methoxy-4-methylphenyl)-1H-benzimidazole;N-[4-[6-[(4-fluorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]-4-methylbenzamide;methane;4-methyl-N-[4-[6-[(4-methylbenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide;4-methyl-N-[4-[6-[[4-(trifluoromethyl)benzoyl]amino]-1H-benzimidazol-2-yl]phenyl]benzamide |
|---|---|
| PubChem CID | 159069223 |
| Molecular Formula | C211H169Cl7F4N30O14 |
| Molecular Weight | 3673.03 g/mol |
| Exact Mass | 3667.12 |
| IUPAC Name | N-[4-[5-benzamido-1-[3-(dimethylamino)propyl]benzimidazol-2-yl]phenyl]benzamide;N-[4-[6-[(4-chlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]-4-methylbenzamide;3-chloro-N-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]-4-methylbenzamide;3-chloro-N-[4-[6-[(3,4-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]-4-methylbenzamide;6-chloro-2-(2-methoxy-4-methylphenyl)-1H-benzimidazole;N-[4-[6-[(4-fluorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]-4-methylbenzamide;methane;4-methyl-N-[4-[6-[(4-methylbenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide;4-methyl-N-[4-[6-[[4-(trifluoromethyl)benzoyl]amino]-1H-benzimidazol-2-yl]phenyl]benzamide |
| SMILES | C.CN(C)CCCn1c(-c2ccc(NC(=O)c3ccccc3)cc2)nc2cc(NC(=O)c3ccccc3)ccc21.COc1cc(C)ccc1-c1nc2ccc(Cl)cc2[nH]1.Cc1ccc(C(=O)Nc2ccc(-c3nc4ccc(Cl)cc4[nH]3)cc2)cc1Cl.Cc1ccc(C(=O)Nc2ccc(-c3nc4ccc(NC(=O)c5ccc(C(F)(F)F)cc5)cc4[nH]3)cc2)cc1.Cc1ccc(C(=O)Nc2ccc(-c3nc4ccc(NC(=O)c5ccc(C)cc5)cc4[nH]3)cc2)cc1.Cc1ccc(C(=O)Nc2ccc(-c3nc4ccc(NC(=O)c5ccc(Cl)c(Cl)c5)cc4[nH]3)cc2)cc1Cl.Cc1ccc(C(=O)Nc2ccc(-c3nc4ccc(NC(=O)c5ccc(Cl)cc5)cc4[nH]3)cc2)cc1.Cc1ccc(C(=O)Nc2ccc(-c3nc4ccc(NC(=O)c5ccc(F)cc5)cc4[nH]3)cc2)cc1 |
| InChI | InChI=1S/C32H31N5O2.C29H21F3N4O2.C29H24N4O2.C28H19Cl3N4O2.C28H21ClN4O2.C28H21FN4O2.C21H15Cl2N3O.C15H13ClN2O.CH4/c1-36(2)20-9-21-37-29-19-18-27(34-32(39)25-12-7-4-8-13-25)22-28(29)35-30(37)23-14-16-26(17-15-23)33-31(38)24-10-5-3-6-11-24;1-17-2-4-19(5-3-17)27(37)33-22-12-8-18(9-13-22)26-35-24-15-14-23(16-25(24)36-26)34-28(38)20-6-10-21(11-7-20)29(30,31)32;1-18-3-7-21(8-4-18)28(34)30-23-13-11-20(12-14-23)27-32-25-16-15-24(17-26(25)33-27)31-29(35)22-9-5-19(2)6-10-22;1-15-2-3-17(12-22(15)30)27(36)32-19-7-4-16(5-8-19)26-34-24-11-9-20(14-25(24)35-26)33-28(37)18-6-10-21(29)23(31)13-18;2*1-17-2-4-19(5-3-17)27(34)30-22-12-8-18(9-13-22)26-32-24-15-14-23(16-25(24)33-26)31-28(35)20-6-10-21(29)11-7-20;1-12-2-3-14(10-17(12)23)21(27)24-16-7-4-13(5-8-16)20-25-18-9-6-15(22)11-19(18)26-20;1-9-3-5-11(14(7-9)19-2)15-17-12-6-4-10(16)8-13(12)18-15;/h3-8,10-19,22H,9,20-21H2,1-2H3,(H,33,38)(H,34,39);2-16H,1H3,(H,33,37)(H,34,38)(H,35,36);3-17H,1-2H3,(H,30,34)(H,31,35)(H,32,33);2-14H,1H3,(H,32,36)(H,33,37)(H,34,35);2*2-16H,1H3,(H,30,34)(H,31,35)(H,32,33);2-11H,1H3,(H,24,27)(H,25,26);3-8H,1-2H3,(H,17,18);1H4 |
| InChIKey | JZKZIXBEUQRUDO-UHFFFAOYSA-N |
| XLogP | 51.39 |
| TPSA | 609.35 Ų |
| H-Bond Donors | 20 |
| H-Bond Acceptors | 24 |
| Rotatable Bonds | 39 |
| Heavy Atoms | 266 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3673.03 |
| LogP ≤ 5 | 51.39 |
| H-Bond Donors ≤ 5 | 20 |
| H-Bond Acceptors ≤ 10 | 24 |