| CAS Number | 1261118-02-8 |
| Catalog Number | AG01DH9F(AGN-PC-0WNP6K) |
| Chemical Name | BENZYL (2-(4-(4-FLUOROPHENYL)-1H-IMIDAZOL-2-YL)PROPAN-2-YL)CARBAMATE |
| IUPAC Name | benzyl N-[2-[5-(4-fluorophenyl)-1H-imidazol-2-yl]propan-2-yl]carbamate |
| InChI | InChI=1S/C20H20FN3O2/c1-20(2,24-19(25)26-13-14-6-4-3-5-7-14)18-22-12-17(23-18)15-8-10-16(21)11-9-15/h3-12H,13H2,1-2H3,(H,22,23)(H,24,25) |
| InChI Key | KESHOOYXUMUORE-UHFFFAOYSA-N |
| MDL Number | MFCD22690263 |
| Molecular Formula | C20H20FN3O2 |
| Molecular Weight | 353.3901 |
| SMILES | CC(C)(NC(=O)OCc1ccccc1)c1ncc([nH]1)-c1ccc(F)cc1 |
| Synonyms | BENZYL (2-(4-(4-FLUOROPHENYL)-1H-IMIDAZOL-2-YL)PROPAN-2-YL)CARBAMATE,
1261118-02-8,
Benzyl (2-(5-(4-fluorophenyl)-1H-imidazol-2-yl)propan-2-yl)carbamate,
{1-[4-(4-fluorophenyl)-1h-imidazol-2-yl]-1-methylethyl}carbamic acid benzyl ester,
SCHEMBL12952013,
ZINC91692575,
CS-0061057,
benzyl N-[2-[5-(4-fluorophenyl)-1H-imidazol-2-yl]propan-2-yl]carbamate,
{1-[4-(4-Fluorophenyl)-1H-imidazol-2-yl]-1-methylethyl}-carbamic acid benzyl ester,
N/A,
|
| Complexity | 460 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 353.154g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 26 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 353.397g/mol |
| Monoisotopic Mass | 353.154g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 67A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number