4-fluoro-2H-benzimidazole

C7H5FN2 — CID 174834904

IUPAC4-fluoro-2H-benzimidazole
SMILESFc1cccc2c1=NCN=2
InChIInChI=1S/C7H5FN2/c8-5-2-1-3-6-7(5)10-4-9-6/h1-3H,4H2
InChIKeyUFNBNEWUBQVRIH-UHFFFAOYSA-N
MW136.13 g/mol
LogP0.04
Rot. Bonds

About 4-fluoro-2H-benzimidazole

4-fluoro-2H-benzimidazole (PubChem CID 174834904) has the molecular formula C7H5FN2 and a molecular weight of 136.13 g/mol. Its IUPAC name is 4-fluoro-2H-benzimidazole.

Molecular Properties

Compound Name4-fluoro-2H-benzimidazole
PubChem CID174834904
Molecular FormulaC7H5FN2
Molecular Weight136.13 g/mol
Exact Mass136.04
IUPAC Name4-fluoro-2H-benzimidazole
SMILESFc1cccc2c1=NCN=2
InChIInChI=1S/C7H5FN2/c8-5-2-1-3-6-7(5)10-4-9-6/h1-3H,4H2
InChIKeyUFNBNEWUBQVRIH-UHFFFAOYSA-N
XLogP0.04
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.13
LogP ≤ 50.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2H-benzimidazole?
The IUPAC name of 4-fluoro-2H-benzimidazole (CID 174834904) is 4-fluoro-2H-benzimidazole.
What is the SMILES notation for 4-fluoro-2H-benzimidazole?
The canonical SMILES for 4-fluoro-2H-benzimidazole is Fc1cccc2c1=NCN=2.
What is the InChIKey of 4-fluoro-2H-benzimidazole?
The InChIKey is UFNBNEWUBQVRIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5FN2/c8-5-2-1-3-6-7(5)10-4-9-6/h1-3H,4H2.
What are the key properties of 4-fluoro-2H-benzimidazole?
4-fluoro-2H-benzimidazole has a molecular weight of 136.13 g/mol, XLogP of 0.04, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2H-benzimidazole is sourced from PubChem (CID 174834904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).