| CAS Number | 1393748-80-5 |
| Catalog Number | AG009XFN(AGN-PC-0WNWQI) |
| Chemical Name | 3-(3-Methoxyphenyl)-2-Methyl-N-(2-(thiazol-4-yl)-1H-benzo[d]iMidazol-5-yl)propanaMide hydrochloride |
| IUPAC Name | 3-(3-methoxyphenyl)-2-methyl-N-[2-(1,3-thiazol-4-yl)-3H-benzimidazol-5-yl]propanamide |
| InChI | InChI=1S/C21H20N4O2S/c1-13(8-14-4-3-5-16(9-14)27-2)21(26)23-15-6-7-17-18(10-15)25-20(24-17)19-11-28-12-22-19/h3-7,9-13H,8H2,1-2H3,(H,23,26)(H,24,25) |
| InChI Key | BRHVBJUDTWQELF-UHFFFAOYSA-N |
| MDL Number | MFCD27977269 |
| Molecular Formula | C21H20N4O2S |
| Molecular Weight | 392.4741 |
| SMILES | COC1=CC=CC(CC(C(NC2=CC(N=C(C3=CSC=N3)N4)=C4C=C2)=O)C)=C1 |
| Synonyms | 1393748-80-5,
SCHEMBL16583701,
3-(3-methoxyphenyl)-2-methyl-N-(2-(thiazol-4-yl)-1H-benzo[d]imidazol-5-yl)propanamide hydrochloride,
W-3708,
3-(3-methoxyphenyl)-2-methyl-N-(2-(thiazol-4-yl)-1H-benzo[d]imidazol-5-yl)propanamide,
|
| Complexity | 537 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 392.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 28 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 392.477g/mol |
| Monoisotopic Mass | 392.131g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 108A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number