5,6-difluoro-2-methyl-1-piperidin-4-ylbenzimidazole

C13H15F2N3 — CID 82146059

IUPAC5,6-difluoro-2-methyl-1-piperidin-4-ylbenzimidazole
SMILESCc1nc2cc(F)c(F)cc2n1C1CCNCC1
InChIInChI=1S/C13H15F2N3/c1-8-17-12-6-10(14)11(15)7-13(12)18(8)9-2-4-16-5-3-9/h6-7,9,16H,2-5H2,1H3
InChIKeyRUNSCUYBBBVWPS-UHFFFAOYSA-N
MW251.28 g/mol
LogP2.55
Rot. Bonds1

About 5,6-difluoro-2-methyl-1-piperidin-4-ylbenzimidazole

5,6-difluoro-2-methyl-1-piperidin-4-ylbenzimidazole (PubChem CID 82146059) has the molecular formula C13H15F2N3 and a molecular weight of 251.28 g/mol. Its IUPAC name is 5,6-difluoro-2-methyl-1-piperidin-4-ylbenzimidazole.

Molecular Properties

Compound Name5,6-difluoro-2-methyl-1-piperidin-4-ylbenzimidazole
PubChem CID82146059
Molecular FormulaC13H15F2N3
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name5,6-difluoro-2-methyl-1-piperidin-4-ylbenzimidazole
SMILESCc1nc2cc(F)c(F)cc2n1C1CCNCC1
InChIInChI=1S/C13H15F2N3/c1-8-17-12-6-10(14)11(15)7-13(12)18(8)9-2-4-16-5-3-9/h6-7,9,16H,2-5H2,1H3
InChIKeyRUNSCUYBBBVWPS-UHFFFAOYSA-N
XLogP2.55
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,6-difluoro-2-methyl-1-piperidin-4-ylbenzimidazole?
The IUPAC name of 5,6-difluoro-2-methyl-1-piperidin-4-ylbenzimidazole (CID 82146059) is 5,6-difluoro-2-methyl-1-piperidin-4-ylbenzimidazole.
What is the SMILES notation for 5,6-difluoro-2-methyl-1-piperidin-4-ylbenzimidazole?
The canonical SMILES for 5,6-difluoro-2-methyl-1-piperidin-4-ylbenzimidazole is Cc1nc2cc(F)c(F)cc2n1C1CCNCC1.
What is the InChIKey of 5,6-difluoro-2-methyl-1-piperidin-4-ylbenzimidazole?
The InChIKey is RUNSCUYBBBVWPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N3/c1-8-17-12-6-10(14)11(15)7-13(12)18(8)9-2-4-16-5-3-9/h6-7,9,16H,2-5H2,1H3.
What are the key properties of 5,6-difluoro-2-methyl-1-piperidin-4-ylbenzimidazole?
5,6-difluoro-2-methyl-1-piperidin-4-ylbenzimidazole has a molecular weight of 251.28 g/mol, XLogP of 2.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-difluoro-2-methyl-1-piperidin-4-ylbenzimidazole is sourced from PubChem (CID 82146059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).