Methyl 1-cyclopropylbenzimidazole-5-carboxylate - CAS 887351-09-9
Catalog: |
BB059214 |
Product Name: |
Methyl 1-cyclopropylbenzimidazole-5-carboxylate |
CAS: |
887351-09-9 |
Synonyms: |
Methyl 1-cyclopropylbenzimidazole-5-carboxylate; Methyl1-cyclopropylbenzimidazole-5-carboxylate; Methyl 1-cyclopropyl-1H-benzimidazole-5-carboxylate |
IUPAC Name: | methyl 1-cyclopropylbenzimidazole-5-carboxylate |
Description: | Methyl 1-cyclopropylbenzimidazole-5-carboxylate |
Molecular Weight: | 216.24 |
Molecular Formula: | C12H12N2O2 |
Canonical SMILES: | COC(=O)C1=CC2=C(C=C1)N(C=N2)C3CC3 |
InChI: | InChI=1S/C12H12N2O2/c1-16-12(15)8-2-5-11-10(6-8)13-7-14(11)9-3-4-9/h2,5-7,9H,3-4H2,1H3 |
InChI Key: | NIEVWYBJAGQALQ-UHFFFAOYSA-N |
Complexity: | 291 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 216.08987763 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 216.08987763 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 44.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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