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Home > Imidazoles > 6637-29-2
6637-29-2 | 2-(phenoxymethyl)-1H-benzimidazole hydrochloride
CAS No: 6637-29-2 Catalog No: AG00FGSA MDL No:MFCD00159968
Product Description
Catalog Number:
AG00FGSA
Chemical Name:
2-(phenoxymethyl)-1H-benzimidazole hydrochloride
CAS Number:
6637-29-2
Molecular Formula:
C14H12N2O
Molecular Weight:
224.2579
MDL Number:
MFCD00159968
IUPAC Name:
2-(phenoxymethyl)-1H-benzimidazole
InChI:
InChI=1S/C14H12N2O/c1-2-6-11(7-3-1)17-10-14-15-12-8-4-5-9-13(12)16-14/h1-9H,10H2,(H,15,16)
InChI Key:
XATKRQREMKIRLA-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)OCc1nc2c([nH]1)cccc2
NSC Number:
52089
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.095g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
224.263g/mol
Monoisotopic Mass:
224.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
Literature
| Title | Journal |
|---|---|
| 1H-Benzimidazol-2-ylmethyl phenyl ether. | Acta crystallographica. Section E, Structure reports online 20090401 |
| Some benzoxazoles and benzimidazoles as DNA topoisomerase I and II inhibitors. | Journal of enzyme inhibition and medicinal chemistry 20080201 |
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
| Synthesis and HIV-1 reverse transcriptase inhibitor activity of some 2,5,6-substituted benzoxazole, benzimidazole, benzothiazole and oxazolo(4,5-b)pyridine derivatives. | Arzneimittel-Forschung 20030101 |
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