4-[2-(Hydroxymethyl)-1H-benzoimidazol-1-yl]butyl Pivalate - CAS 797032-02-1
Catalog: |
BB036402 |
Product Name: |
4-[2-(Hydroxymethyl)-1H-benzoimidazol-1-yl]butyl Pivalate |
CAS: |
797032-02-1 |
Synonyms: |
2,2-dimethylpropanoic acid 4-[2-(hydroxymethyl)-1-benzimidazolyl]butyl ester; 4-[2-(hydroxymethyl)benzimidazol-1-yl]butyl 2,2-dimethylpropanoate |
IUPAC Name: | 4-[2-(hydroxymethyl)benzimidazol-1-yl]butyl 2,2-dimethylpropanoate |
Description: | 4-[2-(Hydroxymethyl)-1H-benzoimidazol-1-yl]butyl Pivalate (CAS# 797032-02-1 ) is a useful research chemical. |
Molecular Weight: | 304.38 |
Molecular Formula: | C17H24N2O3 |
Canonical SMILES: | CC(C)(C)C(=O)OCCCCN1C2=CC=CC=C2N=C1CO |
InChI: | InChI=1S/C17H24N2O3/c1-17(2,3)16(21)22-11-7-6-10-19-14-9-5-4-8-13(14)18-15(19)12-20/h4-5,8-9,20H,6-7,10-12H2,1-3H3 |
InChI Key: | NOVYRSPAAGNFDB-UHFFFAOYSA-N |
LogP: | 2.89810 |
Complexity: | 367 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 304.17869263 |
Formal Charge: | 0 |
Heavy Atom Count: | 22 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 304.17869263 |
Rotatable Bond Count: | 8 |
Topological Polar Surface Area: | 64.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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