| CAS Number | 26530-88-1 |
| Catalog Number | AG00C572(AGN-PC-0R2I5A) |
| Chemical Name | 1-Ethyl-6-methyl-1H-benzimidazole |
| IUPAC Name | 1-ethyl-6-methylbenzimidazole |
| InChI | InChI=1S/C10H12N2/c1-3-12-7-11-9-5-4-8(2)6-10(9)12/h4-7H,3H2,1-2H3 |
| InChI Key | NSQUUOVCOIMGSP-UHFFFAOYSA-N |
| MDL Number | MFCD18825717 |
| Molecular Formula | C10H12N2 |
| Molecular Weight | 160.2157 |
| SMILES | CC1=CC=C2N=CN(CC)C2=C1 |
| Synonyms | 1-ethyl-6-methyl-1H-1,3-benzodiazole,
26530-88-1,
1-ethyl-6-methylbenzimidazole,
SCHEMBL14446372,
CTK8H9056,
ZINC95924277,
AKOS027403922,
MCULE-4972087629,
NE37455,
Z1839474853,
Benzimidazole, 1-ethyl-6-methyl- (8CI),
|
| Complexity | 158 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 160.1g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 160.22g/mol |
| Monoisotopic Mass | 160.1g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 17.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number