| CAS Number | 1652591-80-4 |
| Catalog Number | AG01E2MT(AGN-PC-0WP13S) |
| Chemical Name | (3-Aminopiperidin-1-yl)(1-methyl-2-(1-methyl-1H-indol-2-yl)-1H-benzo[d]imidazol-5-yl)methanone 2,2,2-trifluoroacetate |
| IUPAC Name | (3-aminopiperidin-1-yl)-[1-methyl-2-(1-methylindol-2-yl)benzimidazol-5-yl]methanone;2,2,2-trifluoroacetic acid |
| InChI | InChI=1S/C23H25N5O.C2HF3O2/c1-26-19-8-4-3-6-15(19)13-21(26)22-25-18-12-16(9-10-20(18)27(22)2)23(29)28-11-5-7-17(24)14-28;3-2(4,5)1(6)7/h3-4,6,8-10,12-13,17H,5,7,11,14,24H2,1-2H3;(H,6,7) |
| InChI Key | CUCLWQZRCAQPJM-UHFFFAOYSA-N |
| MDL Number | MFCD32631835 |
| Molecular Formula | C25H26F3N5O3 |
| Molecular Weight | 501.5008 |
| SMILES | FC(C(=O)O)(F)F.NC1CN(CCC1)C(=O)C1=CC2=C(N(C(=N2)C=2N(C3=CC=CC=C3C2)C)C)C=C1 |
| Synonyms | (3-Aminopiperidin-1-yl)(1-methyl-2-(1-methyl-1H-indol-2-yl)-1H-benzo[d]imidazol-5-yl)methanone trifluoroacetic acid salt,
(3-Amino-1-piperidinyl)[1-methyl-2-(1-methyl-1H-indol-2-yl)-1H-benzimidazol-5-yl]-methanoneTrifluoroaceticAcidSalt,
1652591-80-4,
|
| Complexity | 698 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 501.199g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 36 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 501.51g/mol |
| Monoisotopic Mass | 501.199g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 106A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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