| CAS Number | 1374601-41-8 |
| Catalog Number | AG009C9X |
| Chemical Name | BRD-9539 |
| IUPAC Name | 2-benzamido-1-(3-phenylpropyl)benzimidazole-5-carboxylic acid |
| InChI | InChI=1S/C24H21N3O3/c28-22(18-11-5-2-6-12-18)26-24-25-20-16-19(23(29)30)13-14-21(20)27(24)15-7-10-17-8-3-1-4-9-17/h1-6,8-9,11-14,16H,7,10,15H2,(H,29,30)(H,25,26,28) |
| InChI Key | WPXMEOBILYVKBC-UHFFFAOYSA-N |
| MDL Number | MFCD23704793 |
| Molecular Formula | C24H21N3O3 |
| Molecular Weight | 399.4418 |
| SMILES | O=C(C1=CC=C2N(CCCC3=CC=CC=C3)C(NC(C4=CC=CC=C4)=O)=NC2=C1)O |
| Synonyms | BRD9539,
BRD-9539,
1374601-41-8,
CHEMBL3414617,
BRD 9539,
GTPL7375,
BCP12053,
BDBM50075052,
ZINC95099973,
AKOS032944961,
BRD 9539;BRD-9539,
CS-5862,
HY-15647,
BRD9539, >=98% (HPLC),
J-007025,
2-benzamido-1-(3-phenylpropyl)-1H-1,3-benzodiazole-5-carboxylic acid,
D0RO9T,
|
| Complexity | 586 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 399.158g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 30 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 399.45g/mol |
| Monoisotopic Mass | 399.158g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 84.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number