| CAS Number | 1355246-90-0 |
| Catalog Number | AG009WSW(AGN-PC-0WADOQ) |
| Chemical Name | Methyl 1-cyclopentylbenzimidazole-5-carboxylate |
| IUPAC Name | methyl 1-cyclopentylbenzimidazole-5-carboxylate |
| InChI | InChI=1S/C14H16N2O2/c1-18-14(17)10-6-7-13-12(8-10)15-9-16(13)11-4-2-3-5-11/h6-9,11H,2-5H2,1H3 |
| InChI Key | SVWXEOKAUZAJCN-UHFFFAOYSA-N |
| MDL Number | MFCD21332962 |
| Molecular Formula | C14H16N2O2 |
| Molecular Weight | 244.2890 |
| SMILES | COC(=O)c1ccc2c(c1)ncn2C1CCCC1 |
| Synonyms | Methyl 1-cyclopentylbenzimidazole-5-carboxylate,
1355246-90-0,
KM3906,
MFCD21332962,
ZINC75935289,
Z9941,
METHYL 1-CYCLOPENTYL-1,3-BENZODIAZOLE-5-CARBOXYLATE,
C14H16N2O2,
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| Complexity | 315 |
| 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 | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 244.294g/mol |
| Monoisotopic Mass | 244.121g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 44.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
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Certificate of Analysis
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