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

C13H15F2N3 — CID 84634250

IUPAC4,6-difluoro-1-methyl-2-piperidin-4-ylbenzimidazole
SMILESCn1c(C2CCNCC2)nc2c(F)cc(F)cc21
InChIInChI=1S/C13H15F2N3/c1-18-11-7-9(14)6-10(15)12(11)17-13(18)8-2-4-16-5-3-8/h6-8,16H,2-5H2,1H3
InChIKeyVXAHCBCGSJYQIQ-UHFFFAOYSA-N
MW251.28 g/mol
LogP2.32
Rot. Bonds1

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

4,6-difluoro-1-methyl-2-piperidin-4-ylbenzimidazole (PubChem CID 84634250) has the molecular formula C13H15F2N3 and a molecular weight of 251.28 g/mol. Its IUPAC name is 4,6-difluoro-1-methyl-2-piperidin-4-ylbenzimidazole.

Molecular Properties

Compound Name4,6-difluoro-1-methyl-2-piperidin-4-ylbenzimidazole
PubChem CID84634250
Molecular FormulaC13H15F2N3
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name4,6-difluoro-1-methyl-2-piperidin-4-ylbenzimidazole
SMILESCn1c(C2CCNCC2)nc2c(F)cc(F)cc21
InChIInChI=1S/C13H15F2N3/c1-18-11-7-9(14)6-10(15)12(11)17-13(18)8-2-4-16-5-3-8/h6-8,16H,2-5H2,1H3
InChIKeyVXAHCBCGSJYQIQ-UHFFFAOYSA-N
XLogP2.32
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 ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,6-difluoro-1-methyl-2-piperidin-4-ylbenzimidazole?
The IUPAC name of 4,6-difluoro-1-methyl-2-piperidin-4-ylbenzimidazole (CID 84634250) is 4,6-difluoro-1-methyl-2-piperidin-4-ylbenzimidazole.
What is the SMILES notation for 4,6-difluoro-1-methyl-2-piperidin-4-ylbenzimidazole?
The canonical SMILES for 4,6-difluoro-1-methyl-2-piperidin-4-ylbenzimidazole is Cn1c(C2CCNCC2)nc2c(F)cc(F)cc21.
What is the InChIKey of 4,6-difluoro-1-methyl-2-piperidin-4-ylbenzimidazole?
The InChIKey is VXAHCBCGSJYQIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N3/c1-18-11-7-9(14)6-10(15)12(11)17-13(18)8-2-4-16-5-3-8/h6-8,16H,2-5H2,1H3.
What are the key properties of 4,6-difluoro-1-methyl-2-piperidin-4-ylbenzimidazole?
4,6-difluoro-1-methyl-2-piperidin-4-ylbenzimidazole has a molecular weight of 251.28 g/mol, XLogP of 2.32, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-difluoro-1-methyl-2-piperidin-4-ylbenzimidazole is sourced from PubChem (CID 84634250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).