| CAS Number | 1652591-82-6 |
| Catalog Number | AG01E2MU(AGN-PC-0WP13U) |
| Chemical Name | (3-Amino-1-piperidinyl)[2-(1-ethyl-1H-indol-2-yl)-1-methyl-1H-benzimidazol-6-yl]-methanoneHydrochloride |
| IUPAC Name | (3-aminopiperidin-1-yl)-[2-(1-ethylindol-2-yl)-3-methylbenzimidazol-5-yl]methanone;hydrochloride |
| InChI | InChI=1S/C24H27N5O.ClH/c1-3-29-20-9-5-4-7-16(20)13-22(29)23-26-19-11-10-17(14-21(19)27(23)2)24(30)28-12-6-8-18(25)15-28;/h4-5,7,9-11,13-14,18H,3,6,8,12,15,25H2,1-2H3;1H |
| InChI Key | VRPFLFUQMWOJAT-UHFFFAOYSA-N |
| MDL Number | MFCD32631866 |
| Molecular Formula | C24H28ClN5O |
| Molecular Weight | 437.9650 |
| SMILES | NC1CN(C(C2=CC(N(C)C(C3=CC(C=CC=C4)=C4N3CC)=N5)=C5C=C2)=O)CCC1.Cl |
| Synonyms | (3-Aminopiperidin-1-yl)(2-(1-ethyl-1H-indol-2-yl)-1-methyl-1H-benzo[d]imidazol-6-yl)methanone hydrochloride,
(3-Amino-1-piperidinyl)[2-(1-ethyl-1H-indol-2-yl)-1-methyl-1H-benzimidazol-6-yl]-methanoneHydrochloride,
1652591-82-6,
|
| Complexity | 629 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 437.198g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 31 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 437.972g/mol |
| Monoisotopic Mass | 437.198g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 69.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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