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2-Propylbenzimidazole

CAT: 0931-TPL0349-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-TPL0349-01Size:50 mg
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CAS Number
5465-29-2
Purity
0.9993
Bioactivity
2-Propylbenzimidazole, with CAS No. 5465-29-2, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. 2-Propylbenzimidazole provides a structural basis and research tool for the design and screening of novel drug candidates, and is commonly used in drug discovery, drug synthesis, and related research.
Smiles
CCCC1=NC2=CC=CC=C2N1
Molecular Formula
C10H12N2
Molecular Weight
160.22
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-Propyl-1H-benzimidazole
CAS Number5465-29-2
PubChem CID21624
IUPAC Name2-propyl-1H-benzimidazole
Molecular FormulaC10H12N2
Molecular Weight160.22
XLogP2.5
Topological Polar Surface Area28.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count12
Formal Charge0
Complexity147
SMILES
CCCC1=NC2=CC=CC=C2N1
InChI
InChI=1S/C10H12N2/c1-2-5-10-11-8-6-3-4-7-9(8)12-10/h3-4,6-7H,2,5H2,1H3,(H,11,12)
InChIKey
FBLJZPQLNMVEMR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Propyl-1H-benzimidazole
CAS: 5465-29-2
CID: 21624
Formula: C10H12N2
MW: 160.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight160.22
XLogP32.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass160.100048391
Monoisotopic Mass160.100048391
Topological Polar Surface Area28.7 Ų
Heavy Atom Count12
Formal Charge0
Complexity147
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

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