| CAS Number | 1053071-55-8 |
| Catalog Number | AG01AA6K |
| Chemical Name | 2-(octahydro-1H-indol-2-yl)-1H-1,3-benzodiazole |
| IUPAC Name | 2-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl)-1H-benzimidazole |
| InChI | InChI=1S/C15H19N3/c1-2-6-11-10(5-1)9-14(16-11)15-17-12-7-3-4-8-13(12)18-15/h3-4,7-8,10-11,14,16H,1-2,5-6,9H2,(H,17,18) |
| InChI Key | FTUQXJHPJLCOIY-UHFFFAOYSA-N |
| MDL Number | MFCD09807670 |
| Molecular Formula | C15H19N3 |
| Molecular Weight | 241.3315 |
| SMILES | C1C2C(CCCC2)NC1C1NC2=C(C=CC=C2)N=1 |
| Synonyms | 2-(octahydro-1H-indol-2-yl)-1H-1,3-benzodiazole,
1053071-55-8,
AC1Q1GVX,
CTK5J7061,
AKOS000148411,
AKOS022489272,
MCULE-9116010784,
NE44141,
EN300-67201,
Z234896645,
2-(octahydro-1H-indol-2-yl)-1H-1,3-benzodiazole, Mixture of diastereomers,
|
| Complexity | 306 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 241.158g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.338g/mol |
| Monoisotopic Mass | 241.158g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 40.7A^2 |
| Undefined Atom Stereocenter Count | 3 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number