| CAS Number | 944722-26-3 |
| Catalog Number | AG00II79(AGN-PC-0WA4JH) |
| Chemical Name | 1-Cyclopentyl-2-methyl-1,3-benzodiazole-5-carboxylic acid |
| IUPAC Name | 1-cyclopentyl-2-methylbenzimidazole-5-carboxylic acid |
| InChI | InChI=1S/C14H16N2O2/c1-9-15-12-8-10(14(17)18)6-7-13(12)16(9)11-4-2-3-5-11/h6-8,11H,2-5H2,1H3,(H,17,18) |
| InChI Key | LPGAZCJFLBYFMV-UHFFFAOYSA-N |
| MDL Number | MFCD11539608 |
| Molecular Formula | C14H16N2O2 |
| Molecular Weight | 244.2890 |
| SMILES | OC(=O)c1ccc2c(c1)nc(n2C1CCCC1)C |
| Synonyms | 944722-26-3,
1-Cyclopentyl-2-methyl-1,3-benzodiazole-5-carboxylic acid,
1-Cyclopentyl-2-methyl-1H-benzo[d]imidazole-5-carboxylic acid,
ZINC37309724,
V9441,
C14H16N2O2,
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| Complexity | 328 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 244.121g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 244.294g/mol |
| Monoisotopic Mass | 244.121g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number