5,6-difluoro-1-(2-thiophen-2-ylethyl)benzimidazole

C13H10F2N2S — CID 113357701

IUPAC5,6-difluoro-1-(2-thiophen-2-ylethyl)benzimidazole
SMILESFc1cc2ncn(CCc3cccs3)c2cc1F
InChIInChI=1S/C13H10F2N2S/c14-10-6-12-13(7-11(10)15)17(8-16-12)4-3-9-2-1-5-18-9/h1-2,5-8H,3-4H2
InChIKeyLEWJXOZVTRTSRQ-UHFFFAOYSA-N
MW264.30 g/mol
LogP3.62
Rot. Bonds3

About 5,6-difluoro-1-(2-thiophen-2-ylethyl)benzimidazole

5,6-difluoro-1-(2-thiophen-2-ylethyl)benzimidazole (PubChem CID 113357701) has the molecular formula C13H10F2N2S and a molecular weight of 264.30 g/mol. Its IUPAC name is 5,6-difluoro-1-(2-thiophen-2-ylethyl)benzimidazole.

Molecular Properties

Compound Name5,6-difluoro-1-(2-thiophen-2-ylethyl)benzimidazole
PubChem CID113357701
Molecular FormulaC13H10F2N2S
Molecular Weight264.30 g/mol
Exact Mass264.05
IUPAC Name5,6-difluoro-1-(2-thiophen-2-ylethyl)benzimidazole
SMILESFc1cc2ncn(CCc3cccs3)c2cc1F
InChIInChI=1S/C13H10F2N2S/c14-10-6-12-13(7-11(10)15)17(8-16-12)4-3-9-2-1-5-18-9/h1-2,5-8H,3-4H2
InChIKeyLEWJXOZVTRTSRQ-UHFFFAOYSA-N
XLogP3.62
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,6-difluoro-1-(2-thiophen-2-ylethyl)benzimidazole?
The IUPAC name of 5,6-difluoro-1-(2-thiophen-2-ylethyl)benzimidazole (CID 113357701) is 5,6-difluoro-1-(2-thiophen-2-ylethyl)benzimidazole.
What is the SMILES notation for 5,6-difluoro-1-(2-thiophen-2-ylethyl)benzimidazole?
The canonical SMILES for 5,6-difluoro-1-(2-thiophen-2-ylethyl)benzimidazole is Fc1cc2ncn(CCc3cccs3)c2cc1F.
What is the InChIKey of 5,6-difluoro-1-(2-thiophen-2-ylethyl)benzimidazole?
The InChIKey is LEWJXOZVTRTSRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2N2S/c14-10-6-12-13(7-11(10)15)17(8-16-12)4-3-9-2-1-5-18-9/h1-2,5-8H,3-4H2.
What are the key properties of 5,6-difluoro-1-(2-thiophen-2-ylethyl)benzimidazole?
5,6-difluoro-1-(2-thiophen-2-ylethyl)benzimidazole has a molecular weight of 264.30 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-difluoro-1-(2-thiophen-2-ylethyl)benzimidazole is sourced from PubChem (CID 113357701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).