| CAS Number | 1551876-08-4 |
| Catalog Number | AG01DVMU |
| Chemical Name | 1-[(4-bromophenyl)methyl]-4,5,6,7-tetrahydro-1H-1,3-benzodiazole |
| IUPAC Name | 1-[(4-bromophenyl)methyl]-4,5,6,7-tetrahydrobenzimidazole |
| InChI | InChI=1S/C14H15BrN2/c15-12-7-5-11(6-8-12)9-17-10-16-13-3-1-2-4-14(13)17/h5-8,10H,1-4,9H2 |
| InChI Key | CWUVSOQUUJWXGJ-UHFFFAOYSA-N |
| MDL Number | MFCD26168193 |
| Molecular Formula | C14H15BrN2 |
| Molecular Weight | 291.1863 |
| SMILES | BrC1=CC=C(CN2C3=C(CCCC3)N=C2)C=C1 |
| Synonyms | 1-(4-Bromobenzyl)-4,5,6,7-tetrahydro-1H-benzo[d]imidazole,
AKOS020920715,
1-[(4-bromophenyl)methyl]-4,5,6,7-tetrahydrobenzimidazole,
1551876-08-4,
N/A,
|
| Complexity | 251 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 290.042g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 291.192g/mol |
| Monoisotopic Mass | 290.042g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 17.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number