2,2-difluorobenzimidazole

C7H4F2N2 — CID 175945935

IUPAC2,2-difluorobenzimidazole
SMILESFC1(F)N=c2ccccc2=N1
InChIInChI=1S/C7H4F2N2/c8-7(9)10-5-3-1-2-4-6(5)11-7/h1-4H
InChIKeyMXEQKYWVAPQHDV-UHFFFAOYSA-N
MW154.12 g/mol
LogP0.49
Rot. Bonds

About 2,2-difluorobenzimidazole

2,2-difluorobenzimidazole (PubChem CID 175945935) has the molecular formula C7H4F2N2 and a molecular weight of 154.12 g/mol. Its IUPAC name is 2,2-difluorobenzimidazole.

Molecular Properties

Compound Name2,2-difluorobenzimidazole
PubChem CID175945935
Molecular FormulaC7H4F2N2
Molecular Weight154.12 g/mol
Exact Mass154.03
IUPAC Name2,2-difluorobenzimidazole
SMILESFC1(F)N=c2ccccc2=N1
InChIInChI=1S/C7H4F2N2/c8-7(9)10-5-3-1-2-4-6(5)11-7/h1-4H
InChIKeyMXEQKYWVAPQHDV-UHFFFAOYSA-N
XLogP0.49
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.12
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluorobenzimidazole?
The IUPAC name of 2,2-difluorobenzimidazole (CID 175945935) is 2,2-difluorobenzimidazole.
What is the SMILES notation for 2,2-difluorobenzimidazole?
The canonical SMILES for 2,2-difluorobenzimidazole is FC1(F)N=c2ccccc2=N1.
What is the InChIKey of 2,2-difluorobenzimidazole?
The InChIKey is MXEQKYWVAPQHDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F2N2/c8-7(9)10-5-3-1-2-4-6(5)11-7/h1-4H.
What are the key properties of 2,2-difluorobenzimidazole?
2,2-difluorobenzimidazole has a molecular weight of 154.12 g/mol, XLogP of 0.49, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluorobenzimidazole is sourced from PubChem (CID 175945935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).