| CAS Number | 1016739-85-7 |
| Catalog Number | AG019Y6L |
| Chemical Name | 4-[(1H-1,3-benzodiazol-1-yl)methyl]-N'-hydroxybenzene-1-carboximidamide |
| IUPAC Name | 4-(benzimidazol-1-ylmethyl)-N'-hydroxybenzenecarboximidamide |
| InChI | InChI=1S/C15H14N4O/c16-15(18-20)12-7-5-11(6-8-12)9-19-10-17-13-3-1-2-4-14(13)19/h1-8,10,20H,9H2,(H2,16,18) |
| InChI Key | OJFRJQIMOFVKEG-UHFFFAOYSA-N |
| MDL Number | MFCD09928964 |
| Molecular Formula | C15H14N4O |
| Molecular Weight | 266.2979 |
| SMILES | NC(C1=CC=C(CN2C3=C(C=CC=C3)N=C2)C=C1)=NO |
| Synonyms | 1016739-85-7,
CTK8A5991,
Z910843026,
4-[(1H-1,3-benzodiazol-1-yl)methyl]-N'-hydroxybenzene-1-carboximidamide,
4-(1H-1,3-benzodiazol-1-ylmethyl)-N'-hydroxybenzene-1-carboximidamide,
|
| Complexity | 352 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 266.117g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 266.304g/mol |
| Monoisotopic Mass | 266.117g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 76.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number