C150H164Cl6FIN24O8S4 — CID 159156270
N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-N,3-dimethylthiophene-2-carboxamide;N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-3-iodo-4-methyl-N-propylbenzamide;N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-5-methyl-N-propylthiophene-2-carboxamide;N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-N-methylthiophene-2-carboxamide;N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-N-methylthiophene-3-carboxamide;N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-N-propylbenzamide;N-[(1-ethylbenzimidazol-2-yl)methyl]-2-fluoro-N-propylbenzamide;N-[(1-ethylbenzimidazol-2-yl)methyl]-3-methyl-N-propylbenzamide (PubChem CID 159156270) has the molecular formula C150H164Cl6FIN24O8S4 and a molecular weight of 2918.01 g/mol. Its IUPAC name is N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-N,3-dimethylthiophene-2-carboxamide;N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-3-iodo-4-methyl-N-propylbenzamide;N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-5-methyl-N-propylthiophene-2-carboxamide;N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-N-methylthiophene-2-carboxamide;N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-N-methylthiophene-3-carboxamide;N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-N-propylbenzamide;N-[(1-ethylbenzimidazol-2-yl)methyl]-2-fluoro-N-propylbenzamide;N-[(1-ethylbenzimidazol-2-yl)methyl]-3-methyl-N-propylbenzamide.
| Compound Name | N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-N,3-dimethylthiophene-2-carboxamide;N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-3-iodo-4-methyl-N-propylbenzamide;N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-5-methyl-N-propylthiophene-2-carboxamide;N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-N-methylthiophene-2-carboxamide;N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-N-methylthiophene-3-carboxamide;N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-N-propylbenzamide;N-[(1-ethylbenzimidazol-2-yl)methyl]-2-fluoro-N-propylbenzamide;N-[(1-ethylbenzimidazol-2-yl)methyl]-3-methyl-N-propylbenzamide |
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| PubChem CID | 159156270 |
| Molecular Formula | C150H164Cl6FIN24O8S4 |
| Molecular Weight | 2918.01 g/mol |
| Exact Mass | 2912.92 |
| IUPAC Name | N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-N,3-dimethylthiophene-2-carboxamide;N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-3-iodo-4-methyl-N-propylbenzamide;N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-5-methyl-N-propylthiophene-2-carboxamide;N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-N-methylthiophene-2-carboxamide;N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-N-methylthiophene-3-carboxamide;N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-N-propylbenzamide;N-[(1-ethylbenzimidazol-2-yl)methyl]-2-fluoro-N-propylbenzamide;N-[(1-ethylbenzimidazol-2-yl)methyl]-3-methyl-N-propylbenzamide |
| SMILES | CCCN(Cc1nc2ccc(Cl)cc2n1CC)C(=O)c1ccc(C)c(I)c1.CCCN(Cc1nc2ccc(Cl)cc2n1CC)C(=O)c1ccc(C)s1.CCCN(Cc1nc2ccc(Cl)cc2n1CC)C(=O)c1ccccc1.CCCN(Cc1nc2ccccc2n1CC)C(=O)c1cccc(C)c1.CCCN(Cc1nc2ccccc2n1CC)C(=O)c1ccccc1F.CCn1c(CN(C)C(=O)c2cccs2)nc2ccc(Cl)cc21.CCn1c(CN(C)C(=O)c2ccsc2)nc2ccc(Cl)cc21.CCn1c(CN(C)C(=O)c2sccc2C)nc2ccc(Cl)cc21 |
| InChI | InChI=1S/C21H23ClIN3O.C21H25N3O.C20H22ClN3O.C20H22FN3O.C19H22ClN3OS.C17H18ClN3OS.2C16H16ClN3OS/c1-4-10-25(21(27)15-7-6-14(3)17(23)11-15)13-20-24-18-9-8-16(22)12-19(18)26(20)5-2;1-4-13-23(21(25)17-10-8-9-16(3)14-17)15-20-22-18-11-6-7-12-19(18)24(20)5-2;1-3-12-23(20(25)15-8-6-5-7-9-15)14-19-22-17-11-10-16(21)13-18(17)24(19)4-2;1-3-13-23(20(25)15-9-5-6-10-16(15)21)14-19-22-17-11-7-8-12-18(17)24(19)4-2;1-4-10-22(19(24)17-9-6-13(3)25-17)12-18-21-15-8-7-14(20)11-16(15)23(18)5-2;1-4-21-14-9-12(18)5-6-13(14)19-15(21)10-20(3)17(22)16-11(2)7-8-23-16;1-3-20-14-8-12(17)4-5-13(14)18-15(20)9-19(2)16(21)11-6-7-22-10-11;1-3-20-13-9-11(17)6-7-12(13)18-15(20)10-19(2)16(21)14-5-4-8-22-14/h6-9,11-12H,4-5,10,13H2,1-3H3;6-12,14H,4-5,13,15H2,1-3H3;5-11,13H,3-4,12,14H2,1-2H3;5-12H,3-4,13-14H2,1-2H3;6-9,11H,4-5,10,12H2,1-3H3;5-9H,4,10H2,1-3H3;4-8,10H,3,9H2,1-2H3;4-9H,3,10H2,1-2H3 |
| InChIKey | KJXUQPGPSFQQSE-UHFFFAOYSA-N |
| XLogP | 36.67 |
| TPSA | 305.04 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 28 |
| Rotatable Bonds | 42 |
| Heavy Atoms | 194 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2918.01 |
| LogP ≤ 5 | 36.67 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 28 |
| Structural Alerts | {'alert_name': 'iodine', 'substructure': 'N/A'} |
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