Methyl 1-butyl-1,3-benzodiazole-5-carboxylate - CAS 1414029-20-1
Catalog: |
BB075935 |
Product Name: |
Methyl 1-butyl-1,3-benzodiazole-5-carboxylate |
CAS: |
1414029-20-1 |
Synonyms: |
Methyl 1-butyl-1,3-benzodiazole-5-carboxylate; methyl 1-butylbenzimidazole-5-carboxylate |
IUPAC Name: | methyl 1-butylbenzimidazole-5-carboxylate |
Description: | Methyl 1-butyl-1,3-benzodiazole-5-carboxylate |
Molecular Weight: | 232.28 |
Molecular Formula: | C13H16N2O2 |
Canonical SMILES: | CCCCN1C=NC2=C1C=CC(=C2)C(=O)OC |
InChI: | InChI=1S/C13H16N2O2/c1-3-4-7-15-9-14-11-8-10(13(16)17-2)5-6-12(11)15/h5-6,8-9H,3-4,7H2,1-2H3 |
InChI Key: | HWGYDWBVCLBXRF-UHFFFAOYSA-N |
Complexity: | 270 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 232.121177757 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 232.121177757 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 44.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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