Methyl 1-butyl-2-methyl-1,3-benzodiazole-5-carboxylate - CAS 1390621-30-3
Catalog: |
BB075963 |
Product Name: |
Methyl 1-butyl-2-methyl-1,3-benzodiazole-5-carboxylate |
CAS: |
1390621-30-3 |
Synonyms: |
Methyl 1-butyl-2-methyl-1,3-benzodiazole-5-carboxylate; methyl 1-butyl-2-methylbenzimidazole-5-carboxylate |
IUPAC Name: | methyl 1-butyl-2-methylbenzimidazole-5-carboxylate |
Description: | Methyl 1-butyl-2-methyl-1,3-benzodiazole-5-carboxylate |
Molecular Weight: | 246.3 |
Molecular Formula: | C14H18N2O2 |
Canonical SMILES: | CCCCN1C(=NC2=C1C=CC(=C2)C(=O)OC)C |
InChI: | InChI=1S/C14H18N2O2/c1-4-5-8-16-10(2)15-12-9-11(14(17)18-3)6-7-13(12)16/h6-7,9H,4-5,8H2,1-3H3 |
InChI Key: | LDLPBTPRVZISRM-UHFFFAOYSA-N |
Complexity: | 296 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 246.136827821 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 246.136827821 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 44.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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