| CAS Number | 1219737-12-8 |
| Catalog Number | AG01ENWQ(AGN-PC-3H4645) |
| Chemical Name | 5-((6-([1,1'-Biphenyl]-4-yl)-5-chloro-1H-benzo[d]imidazol-2-yl)oxy)-2-methylbenzoic acid |
| IUPAC Name | 5-[[6-chloro-5-(4-phenylphenyl)-1H-benzimidazol-2-yl]oxy]-2-methylbenzoic acid |
| InChI | InChI=1S/C27H19ClN2O3/c1-16-7-12-20(13-21(16)26(31)32)33-27-29-24-14-22(23(28)15-25(24)30-27)19-10-8-18(9-11-19)17-5-3-2-4-6-17/h2-15H,1H3,(H,29,30)(H,31,32) |
| InChI Key | FIKQZQDYGXAUHC-UHFFFAOYSA-N |
| MDL Number | MFCD22572341 |
| Molecular Formula | C27H19ClN2O3 |
| Molecular Weight | 454.9044 |
| SMILES | C1(=CC=C(C=C1)C=1C(=CC2=C(NC(=N2)OC=2C=CC(=C(C(=O)O)C2)C)C1)Cl)C1=CC=CC=C1 |
| Synonyms | MK-3903,
1219737-12-8,
SCHEMBL3036566,
CHEMBL4082745,
FIKQZQDYGXAUHC-UHFFFAOYSA-N,
BCP29075,
MK 3903,
HY-107988,
CS-0031105,
5-[(5-biphenyl-4-yl-6-chloro-1H-benzimidazol-2-yl)oxy]-2-methylbenzoic acid,
|
| Complexity | 664 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 454.108g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 33 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 454.91g/mol |
| Monoisotopic Mass | 454.108g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 75.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 7.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number