| CAS Number | 1223492-40-7 |
| Catalog Number | AG01A7NT |
| Chemical Name | 3-[(1H-1,3-benzodiazol-1-yl)methyl]benzene-1-carboximidamide trihydrochloride |
| IUPAC Name | 3-(benzimidazol-1-ylmethyl)benzenecarboximidamide;trihydrochloride |
| InChI | InChI=1S/C15H14N4.3ClH/c16-15(17)12-5-3-4-11(8-12)9-19-10-18-13-6-1-2-7-14(13)19;;;/h1-8,10H,9H2,(H3,16,17);3*1H |
| InChI Key | GCTRTLCDKJYIKH-UHFFFAOYSA-N |
| MDL Number | MFCD14705746 |
| Molecular Formula | C15H17Cl3N4 |
| Molecular Weight | 359.6813 |
| SMILES | Cl.Cl.Cl.NC(C1=CC(CN2C3=C(C=CC=C3)N=C2)=CC=C1)=N |
| Synonyms | 3-(1H-1,3-benzodiazol-1-ylmethyl)benzene-1-carboximidamide trihydrochloride,
EN300-59290,
1223492-40-7,
AC1Q3AC5,
CTK7D1941,
AKOS008107936,
MCULE-5278830679,
NE33569,
|
| Complexity | 330 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 4 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 358.052g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 5 |
| Isotope Atom Count | 0 |
| Molecular Weight | 359.679g/mol |
| Monoisotopic Mass | 358.052g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 67.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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