| CAS Number | 1493318-64-1 |
| Catalog Number | AG01BH8C |
| Chemical Name | 1-[2-(4-chlorophenyl)ethyl]-1H-1,3-benzodiazol-5-amine |
| IUPAC Name | 1-[2-(4-chlorophenyl)ethyl]benzimidazol-5-amine |
| InChI | InChI=1S/C15H14ClN3/c16-12-3-1-11(2-4-12)7-8-19-10-18-14-9-13(17)5-6-15(14)19/h1-6,9-10H,7-8,17H2 |
| InChI Key | VEEUZMFPRKMESM-UHFFFAOYSA-N |
| MDL Number | MFCD17085404 |
| Molecular Formula | C15H14ClN3 |
| Molecular Weight | 271.7448 |
| SMILES | NC1=CC2=C(N(C=N2)CCC2=CC=C(Cl)C=C2)C=C1 |
| Synonyms | 1493318-64-1,
1-(4-chlorophenethyl)-1H-benzo[d]imidazol-5-amine,
1-[2-(4-chlorophenyl)ethyl]-1H-1,3-benzodiazol-5-amine,
ZINC52854504,
AKOS011798174,
F2163-0143,
1-[2-(4-chlorophenyl)ethyl]benzimidazol-5-amine,
|
| Complexity | 291 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 271.088g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 271.748g/mol |
| Monoisotopic Mass | 271.088g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 43.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
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