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Benzimidazole extrapure, 99%

CAT: 0565-35034-01Size: 25 gDry Ice: NoHazardous: No
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Description
Part B
CAS Number
51-17-2
Storage Temperature
Room Temperature

Chemical Information

Benzimidazole

1H-benzimidazole is the 1H-tautomer of benzimidazole. It is a benzimidazole and a polycyclic heteroarene. It is a conjugate acid of a benzimidazolide. It is a tautomer of a 4H-benzimidazole, a 2H-benzimidazole and a 3aH-benzimidazole.

CAS Number51-17-2
PubChem CID5798
IUPAC Name1H-benzimidazole
Molecular FormulaC7H6N2
Molecular Weight118.14
XLogP1.3
Topological Polar Surface Area28.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count9
Formal Charge0
Complexity103
SMILES
C1=CC=C2C(=C1)NC=N2
InChI
InChI=1S/C7H6N2/c1-2-4-7-6(3-1)8-5-9-7/h1-5H,(H,8,9)
InChIKey
HYZJCKYKOHLVJF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Benzimidazole
CAS: 51-17-2
CID: 5798
Formula: C7H6N2
MW: 118.14
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight118.14
XLogP31.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass118.053098200
Monoisotopic Mass118.053098200
Topological Polar Surface Area28.7 Ų
Heavy Atom Count9
Formal Charge0
Complexity103
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes