| CAS Number | 97968-88-2 |
| Catalog Number | AG01A3CC(AGN-PC-00MHLW) |
| Chemical Name | 2-(2-cyclohexyl-1H-1,3-benzodiazol-1-yl)acetic acid |
| IUPAC Name | 2-(2-cyclohexylbenzimidazol-1-yl)acetic acid |
| InChI | InChI=1S/C15H18N2O2/c18-14(19)10-17-13-9-5-4-8-12(13)16-15(17)11-6-2-1-3-7-11/h4-5,8-9,11H,1-3,6-7,10H2,(H,18,19) |
| InChI Key | BNSIJHUQNGRVHE-UHFFFAOYSA-N |
| MDL Number | MFCD09192224 |
| Molecular Formula | C15H18N2O2 |
| Molecular Weight | 258.3156 |
| SMILES | OC(CN1C2=C(C=CC=C2)N=C1C1CCCCC1)=O |
| Synonyms | 2-(2-cyclohexyl-1H-1,3-benzodiazol-1-yl)acetic acid,
97968-88-2,
ZINC25883443,
AKOS009355139,
MCULE-7533884363,
NE28753,
Z1558210399,
|
| Complexity | 328 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 258.137g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 258.321g/mol |
| Monoisotopic Mass | 258.137g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number