Methyl 1-cyclopentylbenzimidazole-5-carboxylate - CAS 1355246-90-0
Catalog: |
BB076208 |
Product Name: |
Methyl 1-cyclopentylbenzimidazole-5-carboxylate |
CAS: |
1355246-90-0 |
Synonyms: |
Methyl 1-cyclopentylbenzimidazole-5-carboxylate; Methyl1-cyclopentylbenzimidazole-5-carboxylate |
IUPAC Name: | methyl 1-cyclopentylbenzimidazole-5-carboxylate |
Description: | Methyl 1-cyclopentylbenzimidazole-5-carboxylate |
Molecular Weight: | 244.28 |
Molecular Formula: | C14H16N2O2 |
Canonical SMILES: | COC(=O)C1=CC2=C(C=C1)N(C=N2)C3CCCC3 |
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 |
Complexity: | 315 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 244.121177757 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 244.121177757 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 44.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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