2-[2-(5,6-difluorobenzimidazol-1-yl)ethyl]cyclopentan-1-one

C14H14F2N2O — CID 79570295

IUPAC2-[2-(5,6-difluorobenzimidazol-1-yl)ethyl]cyclopentan-1-one
SMILESO=C1CCCC1CCn1cnc2cc(F)c(F)cc21
InChIInChI=1S/C14H14F2N2O/c15-10-6-12-13(7-11(10)16)18(8-17-12)5-4-9-2-1-3-14(9)19/h6-9H,1-5H2
InChIKeyCCJRKLHMCIDHEG-UHFFFAOYSA-N
MW264.27 g/mol
LogP3.07
Rot. Bonds3

About 2-[2-(5,6-difluorobenzimidazol-1-yl)ethyl]cyclopentan-1-one

2-[2-(5,6-difluorobenzimidazol-1-yl)ethyl]cyclopentan-1-one (PubChem CID 79570295) has the molecular formula C14H14F2N2O and a molecular weight of 264.27 g/mol. Its IUPAC name is 2-[2-(5,6-difluorobenzimidazol-1-yl)ethyl]cyclopentan-1-one.

Molecular Properties

Compound Name2-[2-(5,6-difluorobenzimidazol-1-yl)ethyl]cyclopentan-1-one
PubChem CID79570295
Molecular FormulaC14H14F2N2O
Molecular Weight264.27 g/mol
Exact Mass264.11
IUPAC Name2-[2-(5,6-difluorobenzimidazol-1-yl)ethyl]cyclopentan-1-one
SMILESO=C1CCCC1CCn1cnc2cc(F)c(F)cc21
InChIInChI=1S/C14H14F2N2O/c15-10-6-12-13(7-11(10)16)18(8-17-12)5-4-9-2-1-3-14(9)19/h6-9H,1-5H2
InChIKeyCCJRKLHMCIDHEG-UHFFFAOYSA-N
XLogP3.07
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.27
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(5,6-difluorobenzimidazol-1-yl)ethyl]cyclopentan-1-one?
The IUPAC name of 2-[2-(5,6-difluorobenzimidazol-1-yl)ethyl]cyclopentan-1-one (CID 79570295) is 2-[2-(5,6-difluorobenzimidazol-1-yl)ethyl]cyclopentan-1-one.
What is the SMILES notation for 2-[2-(5,6-difluorobenzimidazol-1-yl)ethyl]cyclopentan-1-one?
The canonical SMILES for 2-[2-(5,6-difluorobenzimidazol-1-yl)ethyl]cyclopentan-1-one is O=C1CCCC1CCn1cnc2cc(F)c(F)cc21.
What is the InChIKey of 2-[2-(5,6-difluorobenzimidazol-1-yl)ethyl]cyclopentan-1-one?
The InChIKey is CCJRKLHMCIDHEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2O/c15-10-6-12-13(7-11(10)16)18(8-17-12)5-4-9-2-1-3-14(9)19/h6-9H,1-5H2.
What are the key properties of 2-[2-(5,6-difluorobenzimidazol-1-yl)ethyl]cyclopentan-1-one?
2-[2-(5,6-difluorobenzimidazol-1-yl)ethyl]cyclopentan-1-one has a molecular weight of 264.27 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5,6-difluorobenzimidazol-1-yl)ethyl]cyclopentan-1-one is sourced from PubChem (CID 79570295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).