Methyl 1-cyclopentyl-2-methyl-1,3-benzodiazole-5-carboxylate - CAS 904687-01-0
Catalog: |
BB076194 |
Product Name: |
Methyl 1-cyclopentyl-2-methyl-1,3-benzodiazole-5-carboxylate |
CAS: |
904687-01-0 |
Synonyms: |
METHYL 1-CYCLOPENTYL-2-METHYL-1,3-BENZODIAZOLE-5-CARBOXYLATE; methyl 1-cyclopentyl-2-methylbenzimidazole-5-carboxylate; METHYL1-CYCLOPENTYL-2-METHYL-1,3-BENZODIAZOLE-5-CARBOXYLATE |
IUPAC Name: | methyl 1-cyclopentyl-2-methylbenzimidazole-5-carboxylate |
Description: | Methyl 1-cyclopentyl-2-methyl-1,3-benzodiazole-5-carboxylate |
Molecular Weight: | 258.32 |
Molecular Formula: | C15H18N2O2 |
Canonical SMILES: | CC1=NC2=C(N1C3CCCC3)C=CC(=C2)C(=O)OC |
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 |
Complexity: | 341 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 258.136827821 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 258.136827821 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 44.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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