| CAS Number | 1183376-10-4 |
| Catalog Number | AG01A9YX |
| Chemical Name | 5-chloro-1-(3-phenylpropyl)-1H-1,3-benzodiazol-2-amine |
| IUPAC Name | 5-chloro-1-(3-phenylpropyl)benzimidazol-2-amine |
| InChI | InChI=1S/C16H16ClN3/c17-13-8-9-15-14(11-13)19-16(18)20(15)10-4-7-12-5-2-1-3-6-12/h1-3,5-6,8-9,11H,4,7,10H2,(H2,18,19) |
| InChI Key | CZRAMJQALFPNAX-UHFFFAOYSA-N |
| MDL Number | MFCD16817500 |
| Molecular Formula | C16H16ClN3 |
| Molecular Weight | 285.7713 |
| SMILES | NC1N(CCCC2=CC=CC=C2)C2=C(C=C(C=C2)Cl)N=1 |
| Synonyms | 5-chloro-1-(3-phenylpropyl)-1H-1,3-benzodiazol-2-amine,
1183376-10-4,
AC1Q52YI,
ZINC37719693,
AKOS008140656,
MCULE-1988649461,
NE29501,
EN300-66586,
|
| Complexity | 306 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 285.103g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 285.775g/mol |
| Monoisotopic Mass | 285.103g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 43.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number