Home Other Building Blocks Phenol, 2-(1H-benzimidazol-2-yl)-

Phenol, 2-(1H-benzimidazol-2-yl)-

CAS No.:
2963-66-8
Catalog Number:
AG002YY8
Molecular Formula:
C13H10N2O
Molecular Weight:
210.2313
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Product Description
Catalog Number:
AG002YY8
Chemical Name:
Phenol, 2-(1H-benzimidazol-2-yl)-
CAS Number:
2963-66-8
Molecular Formula:
C13H10N2O
Molecular Weight:
210.2313
MDL Number:
MFCD00022668
IUPAC Name:
2-(1H-benzimidazol-2-yl)phenol
InChI:
InChI=1S/C13H10N2O/c16-12-8-4-1-5-9(12)13-14-10-6-2-3-7-11(10)15-13/h1-8,16H,(H,14,15)
InChI Key:
XWXMGTIHBYFTIE-UHFFFAOYSA-N
SMILES:
Oc1ccccc1c1nc2c([nH]1)cccc2
NSC Number:
32819
Properties
Complexity:
246  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.079g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
210.236g/mol
Monoisotopic Mass:
210.079g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
48.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Literature
Title Journal
Selective signaling of fluoride anion based on imidazole moieties. Luminescence : the journal of biological and chemical luminescence 20120101
Role of nitrogen substitution in phenyl ring on excited state intramolecular proton transfer and rotamerism of 2-(2'-hydroxyphenyl)benzimidazole: a theoretical study. The Journal of chemical physics 20110314
Spectroscopic studies of intramolecular proton transfer in 2-(4-fluorophenylamino)-5-(2,4-dihydroxybenzeno)-1,3,4-thiadiazole. Journal of fluorescence 20110101
Synthesis of a dehydroabietyl derivative bearing a 2-(2'-hydroxyphenyl)benzimidazole unit and its selective Cu²+ chemosensing. Molecules (Basel, Switzerland) 20101228
Hexakis(dimethyl-ammonium) di-μ(6)-oxido-tetra-μ(3)-oxido-tetra-deca-μ(2)-oxido-octa-oxidodeca-vanadate(V) monohydrate. Acta crystallographica. Section E, Structure reports online 20100601
Bis[2-(1H-benzimidazol-2-yl)-phenolato]-dimethanol-manganese(III) chloride. Acta crystallographica. Section E, Structure reports online 20100501
TD-DFT study of the excited-state potential energy surfaces of 2-(2'-hydroxyphenyl)benzimidazole and its amino derivatives. The journal of physical chemistry. A 20100401
Modulation of excited-state proton transfer of 2-(2'-hydroxyphenyl)benzimidazole in a macrocyclic cucurbit[7]uril host cavity: dual emission behavior and pK(a) shift. Chemistry (Weinheim an der Bergstrasse, Germany) 20091116
A ratiometric fluorescent probe for fluoride ion employing the excited-state intramolecular proton transfer. Talanta 20091115
Comparative theoretical study of rotamerism and excited state intramolecular proton transfer of 2-(2'-hydroxyphenyl)benzimidazole, 2-(2'-hydroxyphenyl)imidazo[4,5-b]pyridine, 2-(2'-hydroxyphenyl)imidazo[4,5-c] pyridine and 8-(2'-hydroxyphenyl)purine. The journal of physical chemistry. A 20091105
Bis[2-(1H-benzimidazol-2-yl)phenolato-κN,O]cobalt(II) dimethyl-formamide disolvate. Acta crystallographica. Section E, Structure reports online 20081001
Excited-state intramolecular proton transfer in 2-(3'-hydroxy-2'-pyridyl)benzoxazole. Evidence of coupled proton and charge transfer in the excited state of some o-hydroxyarylbenzazoles. The journal of physical chemistry. A 20070315
Synthesis and anticancer activity of certain mononuclear Ru (II) complexes. Journal of enzyme inhibition and medicinal chemistry 20061001
Syntheses, structures, photoluminescence, and theoretical studies of a class of beryllium(II) compounds of aromatic N,O-chelate ligands. Inorganic chemistry 20050613
A novel serine protease inhibition motif involving a multi-centered short hydrogen bonding network at the active site. Journal of molecular biology 20010413
Properties