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4981-92-4 | 1-Benzyl-1H-benzoimidazole
CAS No: 4981-92-4 Catalog No: AG00JPWI MDL No:
Product Description
Catalog Number:
AG00JPWI
Chemical Name:
1-Benzyl-1H-benzoimidazole
CAS Number:
4981-92-4
Molecular Formula:
C14H12N2
Molecular Weight:
208.2585
IUPAC Name:
1-benzylbenzimidazole
InChI:
InChI=1S/C14H12N2/c1-2-6-12(7-3-1)10-16-11-15-13-8-4-5-9-14(13)16/h1-9,11H,10H2
InChI Key:
MNEIJGDSFRHGMS-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)Cn1cnc2c1cccc2
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.1g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.264g/mol
Monoisotopic Mass:
208.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
Literature
| Title | Journal |
|---|---|
| Discovery of a novel and potent class of F. tularensis enoyl-reductase (FabI) inhibitors by molecular shape and electrostatic matching. | Journal of medicinal chemistry 20120112 |
| Highly efficient Brønsted acidic ionic liquid-based catalysts for biodiesel synthesis from vegetable oils. | Bioresource technology 20110101 |
| An ortho-rhom-bic polymorph of 1-benzyl-1H-benzimidazole. | Acta crystallographica. Section E, Structure reports online 20100501 |
| 1-Benzyl-1H-benzimidazole. | Acta crystallographica. Section E, Structure reports online 20091101 |
| Synthesis and antitubercular screening of imidazole derivatives. | European journal of medicinal chemistry 20090801 |
| QSAR analysis of 2-amino or 2-methyl-1-substituted benzimidazoles against Pseudomonas aeruginosa. | International journal of molecular sciences 20090401 |
| 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 |
| A structure-permeability study of small drug-like molecules. | Bioorganic & medicinal chemistry letters 20030224 |
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