| CAS Number | 904687-01-0 |
| Catalog Number | AG00IG5H(AGN-PC-0WADOP) |
| Chemical Name | Methyl 1-cyclopentyl-2-methyl-1,3-benzodiazole-5-carboxylate |
| IUPAC Name | methyl 1-cyclopentyl-2-methylbenzimidazole-5-carboxylate |
| InChI | InChI=1S/C15H18N2O2/c1-10-16-13-9-11(15(18)19-2)7-8-14(13)17(10)12-5-3-4-6-12/h7-9,12H,3-6H2,1-2H3 |
| InChI Key | SMFJFPUVXDQACU-UHFFFAOYSA-N |
| MDL Number | MFCD22574970 |
| Molecular Formula | C15H18N2O2 |
| Molecular Weight | 258.3156 |
| SMILES | COC(=O)c1ccc2c(c1)nc(n2C1CCCC1)C |
| Synonyms | METHYL 1-CYCLOPENTYL-2-METHYL-1,3-BENZODIAZOLE-5-CARBOXYLATE,
904687-01-0,
KM5709,
ZINC75972782,
V8923,
C15H18N2O2,
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| Complexity | 341 |
| 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 | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 258.321g/mol |
| Monoisotopic Mass | 258.137g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 44.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
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Certificate of Analysis
Lot Number