| Catalog Number | ACM929095181-1 |
| CAS | 929095-18-1 |
| IUPAC Name | 5-[6-[(4-methylpiperazin-1-yl)methyl]benzimidazol-1-yl]-3-[(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide |
| Synonyms | GSK461364;929095-18-1;GSK-461364;GSK 461364;GSK-461364A;(R)-5-(6-((4-methylpiperazin-1-yl)methyl)-1H-benzo[d]imidazol-1-yl)-3-(1-(2-(trifluoromethyl)phenyl)ethoxy)thiophene-2-carboxamide;5-[6-[(4-Methyl-1-piperazinyl)methyl]-1h-benzimidazol-1-yl]-3-[(1r)-1-[2-(trifluoromethyl)phenyl]ethoxy]-2-thiophenecarboxamide;UNII-8QO27TK6Q4;8QO27TK6Q4;CHEMBL1908394;GSK461364A;2-Thiophenecarboxamide, 5-(6-((4-methyl-1-piperazinyl)methyl)-1H-benzimidazol-1-yl)-3-((1R)-1-(2-(trifluoromethyl)phenyl)ethoxy)-;2-THIOPHENECARBOXAMIDE, 5-[6-[(4-METHYL-1-PIPERAZINYL)METHYL]-1H-BENZIMIDAZOL-1-YL]-3-[(1R)-1-[2-(TRIFLUOROMETHYL)PHENYL]ETHOXY]-;5-[6-[(4-methylpiperazin-1-yl)methyl]benzimidazol-1-yl]-3-[(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide;cc-630;SCHEMBL310080;GTPL5684;C27H28F3N5O2S;CHEBI:91333;DTXSID60239197;BCP01720;EX-A1728;ABP000820;ANW-57776;BDBM50355500;MFCD12755419;NSC754354;NSC800111;s2193;ZINC43154472;AKOS015904545;BCP9000744;CCG-264940;CS-0069;NSC-754354;NSC-800111;NCGC00263112-01;NCGC00263112-06;5-(6-((4-Methylpiperazin-1-yl)methyl)-1H-benzimidazol-1-yl)-3-(((1R)-1-(2-(trifluoromethyl)phenyl)ethyl)oxy)thiophene-2-carboxamide;AC-23167;AS-56069;HY-50877;GSK461364/GSK-461364;A8441;SW220052-1;X7374;GSK461364A, >=98% (HPLC);W-5534;BRD-K92428232-001-01-5;Q27077906;5-(6-((4-METHYLPIPERAZIN-1-YL)METHYL)-1H-BENZO[D]IMIDAZOL-1-YL)-3-((R)-1-(2-(TRIFLUOROMETHYL)PHENYL)ETHOXY)THIOPHENE-2-CARBOXAMIDE;5-{6-[(4-methylpiperazin-1-yl)methyl]-1H-1,3-benzodiazol-1-yl}-3-[(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide;5-{6-[(4-Methylpiperazin-1-yl)methyl]-1H-benzimidazol-1-yl}-3-{(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy}thiophene-2-carboxamide |
| Molecular Weight | 543.6g/mol |
| Molecular Formula | C27H28F3N5O2S |
| Canonical SMILES | CC(C1=CC=CC=C1C(F)(F)F)OC2=C(SC(=C2)N3C=NC4=C3C=C(C=C4)CN5CCN(CC5)C)C(=O)N |
| InChI | InChI=1S/C27H28F3N5O2S/c1-17(19-5-3-4-6-20(19)27(28,29)30)37-23-14-24(38-25(23)26(31)36)35-16-32-21-8-7-18(13-22(21)35)15-34-11-9-33(2)10-12-34/h3-8,13-14,16-17H,9-12,15H2,1-2H3,(H2,31,36)/t17-/m1/s1 |
| InChI Key | ZHJGWYRLJUCMRT-QGZVFWFLSA-N |
| Complexity | 814 |
| Covalently-Bonded Unit Count | 1 |
| Exact Mass | 543.19158081g/mol |
| Heavy Atom Count | 38 |
| Hydrogen Bond Acceptor Count | 9 |
| Monoisotopic Mass | 543.19158081g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 105Ų |
| UNII | 8QO27TK6Q4 |
| X Log P3 | 4.7 |