5,6-difluoro-1-piperidin-4-yl-2-thiophen-2-ylbenzimidazole

C16H15F2N3S — CID 94749411

IUPAC5,6-difluoro-1-piperidin-4-yl-2-thiophen-2-ylbenzimidazole
SMILESFc1cc2nc(-c3cccs3)n(C3CCNCC3)c2cc1F
InChIInChI=1S/C16H15F2N3S/c17-11-8-13-14(9-12(11)18)21(10-3-5-19-6-4-10)16(20-13)15-2-1-7-22-15/h1-2,7-10,19H,3-6H2
InChIKeyZKSGYZYBVJEZRO-UHFFFAOYSA-N
MW319.38 g/mol
LogP3.97
Rot. Bonds2

About 5,6-difluoro-1-piperidin-4-yl-2-thiophen-2-ylbenzimidazole

5,6-difluoro-1-piperidin-4-yl-2-thiophen-2-ylbenzimidazole (PubChem CID 94749411) has the molecular formula C16H15F2N3S and a molecular weight of 319.38 g/mol. Its IUPAC name is 5,6-difluoro-1-piperidin-4-yl-2-thiophen-2-ylbenzimidazole.

Molecular Properties

Compound Name5,6-difluoro-1-piperidin-4-yl-2-thiophen-2-ylbenzimidazole
PubChem CID94749411
Molecular FormulaC16H15F2N3S
Molecular Weight319.38 g/mol
Exact Mass319.10
IUPAC Name5,6-difluoro-1-piperidin-4-yl-2-thiophen-2-ylbenzimidazole
SMILESFc1cc2nc(-c3cccs3)n(C3CCNCC3)c2cc1F
InChIInChI=1S/C16H15F2N3S/c17-11-8-13-14(9-12(11)18)21(10-3-5-19-6-4-10)16(20-13)15-2-1-7-22-15/h1-2,7-10,19H,3-6H2
InChIKeyZKSGYZYBVJEZRO-UHFFFAOYSA-N
XLogP3.97
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,6-difluoro-1-piperidin-4-yl-2-thiophen-2-ylbenzimidazole?
The IUPAC name of 5,6-difluoro-1-piperidin-4-yl-2-thiophen-2-ylbenzimidazole (CID 94749411) is 5,6-difluoro-1-piperidin-4-yl-2-thiophen-2-ylbenzimidazole.
What is the SMILES notation for 5,6-difluoro-1-piperidin-4-yl-2-thiophen-2-ylbenzimidazole?
The canonical SMILES for 5,6-difluoro-1-piperidin-4-yl-2-thiophen-2-ylbenzimidazole is Fc1cc2nc(-c3cccs3)n(C3CCNCC3)c2cc1F.
What is the InChIKey of 5,6-difluoro-1-piperidin-4-yl-2-thiophen-2-ylbenzimidazole?
The InChIKey is ZKSGYZYBVJEZRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2N3S/c17-11-8-13-14(9-12(11)18)21(10-3-5-19-6-4-10)16(20-13)15-2-1-7-22-15/h1-2,7-10,19H,3-6H2.
What are the key properties of 5,6-difluoro-1-piperidin-4-yl-2-thiophen-2-ylbenzimidazole?
5,6-difluoro-1-piperidin-4-yl-2-thiophen-2-ylbenzimidazole has a molecular weight of 319.38 g/mol, XLogP of 3.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-difluoro-1-piperidin-4-yl-2-thiophen-2-ylbenzimidazole is sourced from PubChem (CID 94749411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).