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272-94-6 | 2H-Benzimidazole
CAS No: 272-94-6 Catalog No: AG007LAQ MDL No:
Product Description
Catalog Number:
AG007LAQ
Chemical Name:
2H-Benzimidazole
CAS Number:
272-94-6
Molecular Formula:
C7H6N2
Molecular Weight:
118.1359
IUPAC Name:
2H-benzimidazole
InChI:
InChI=1S/C7H6N2/c1-2-4-7-6(3-1)8-5-9-7/h1-4H,5H2
InChI Key:
NLMVLMCSXDIGSW-UHFFFAOYSA-N
SMILES:
c1ccc2=NCN=c2c1
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
118.053g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
118.139g/mol
Monoisotopic Mass:
118.053g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
24.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
Literature
| Title | Journal |
|---|---|
| Second generation of 2H-benzimidazole 1,3-dioxide derivatives as anti-trypanosomatid agents: synthesis, biological evaluation, and mode of action studies. | European journal of medicinal chemistry 20091101 |
| 2-(2-Pyrrolidinio)-1H-benzimidazol-3-ium dinitrate. | Acta crystallographica. Section E, Structure reports online 20090601 |
| Exhaustive QSPR studies of a large diverse set of ionic liquids: how accurately can we predict melting points? | Journal of chemical information and modeling 20070101 |
| 2H-benzimidazole 1,3-dioxide derivatives: a new family of water-soluble anti-trypanosomatid agents. | Journal of medicinal chemistry 20060601 |
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