| CAS Number | 890634-59-0 |
| Catalog Number | AG019N8J |
| Chemical Name | 1-(2-methoxybenzyl)-5,6-dimethyl-1H-benzimidazole |
| IUPAC Name | 1-[(2-methoxyphenyl)methyl]-5,6-dimethylbenzimidazole |
| InChI | InChI=1S/C17H18N2O/c1-12-8-15-16(9-13(12)2)19(11-18-15)10-14-6-4-5-7-17(14)20-3/h4-9,11H,10H2,1-3H3 |
| InChI Key | JWAWUUYFZPYWAV-UHFFFAOYSA-N |
| MDL Number | MFCD08163114 |
| Molecular Formula | C17H18N2O |
| Molecular Weight | 266.3376 |
| SMILES | COC1=C(CN2C3=C(C=C(C(=C3)C)C)N=C2)C=CC=C1 |
| Synonyms | 1-(2-methoxybenzyl)-5,6-dimethyl-1H-benzimidazole,
1-[(2-methoxyphenyl)methyl]-5,6-dimethyl-1H-1,3-benzodiazole,
AC1Q45IR,
CTK7B1054,
ZINC7542384,
STL357052,
AKOS001373993,
MCULE-2129688591,
NE21306,
ST50329802,
EN300-39678,
1-[(5,6-dimethylbenzimidazolyl)methyl]-2-methoxybenzene,
890634-59-0,
|
| Complexity | 322 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 266.142g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 266.344g/mol |
| Monoisotopic Mass | 266.142g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 27A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number