2-(difluoromethyl)-1H-benzimidazole

C8H6F2N2 — CID 597703

IUPAC2-(difluoromethyl)-1H-benzimidazole
SMILESFC(F)c1nc2ccccc2[nH]1
InChIInChI=1S/C8H6F2N2/c9-7(10)8-11-5-3-1-2-4-6(5)12-8/h1-4,7H,(H,11,12)
InChIKeyPURNIHSRWGYONZ-UHFFFAOYSA-N
MW168.15 g/mol
LogP2.50
Rot. Bonds1

About 2-(difluoromethyl)-1H-benzimidazole

2-(difluoromethyl)-1H-benzimidazole (PubChem CID 597703) has the molecular formula C8H6F2N2 and a molecular weight of 168.15 g/mol. Its IUPAC name is 2-(difluoromethyl)-1H-benzimidazole.

Molecular Properties

Compound Name2-(difluoromethyl)-1H-benzimidazole
PubChem CID597703
Molecular FormulaC8H6F2N2
Molecular Weight168.15 g/mol
Exact Mass168.05
IUPAC Name2-(difluoromethyl)-1H-benzimidazole
SMILESFC(F)c1nc2ccccc2[nH]1
InChIInChI=1S/C8H6F2N2/c9-7(10)8-11-5-3-1-2-4-6(5)12-8/h1-4,7H,(H,11,12)
InChIKeyPURNIHSRWGYONZ-UHFFFAOYSA-N
XLogP2.50
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.15
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-1H-benzimidazole?
The IUPAC name of 2-(difluoromethyl)-1H-benzimidazole (CID 597703) is 2-(difluoromethyl)-1H-benzimidazole.
What is the SMILES notation for 2-(difluoromethyl)-1H-benzimidazole?
The canonical SMILES for 2-(difluoromethyl)-1H-benzimidazole is FC(F)c1nc2ccccc2[nH]1.
What is the InChIKey of 2-(difluoromethyl)-1H-benzimidazole?
The InChIKey is PURNIHSRWGYONZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F2N2/c9-7(10)8-11-5-3-1-2-4-6(5)12-8/h1-4,7H,(H,11,12).
What are the key properties of 2-(difluoromethyl)-1H-benzimidazole?
2-(difluoromethyl)-1H-benzimidazole has a molecular weight of 168.15 g/mol, XLogP of 2.50, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-1H-benzimidazole is sourced from PubChem (CID 597703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).