4-fluoro-3-piperidin-3-yl-1H-benzimidazol-2-one

C12H14FN3O — CID 84797339

IUPAC4-fluoro-3-piperidin-3-yl-1H-benzimidazol-2-one
SMILESO=c1[nH]c2cccc(F)c2n1C1CCCNC1
InChIInChI=1S/C12H14FN3O/c13-9-4-1-5-10-11(9)16(12(17)15-10)8-3-2-6-14-7-8/h1,4-5,8,14H,2-3,6-7H2,(H,15,17)
InChIKeyWEJUZNWGSHEPFN-UHFFFAOYSA-N
MW235.26 g/mol
LogP1.39
Rot. Bonds1

About 4-fluoro-3-piperidin-3-yl-1H-benzimidazol-2-one

4-fluoro-3-piperidin-3-yl-1H-benzimidazol-2-one (PubChem CID 84797339) has the molecular formula C12H14FN3O and a molecular weight of 235.26 g/mol. Its IUPAC name is 4-fluoro-3-piperidin-3-yl-1H-benzimidazol-2-one.

Molecular Properties

Compound Name4-fluoro-3-piperidin-3-yl-1H-benzimidazol-2-one
PubChem CID84797339
Molecular FormulaC12H14FN3O
Molecular Weight235.26 g/mol
Exact Mass235.11
IUPAC Name4-fluoro-3-piperidin-3-yl-1H-benzimidazol-2-one
SMILESO=c1[nH]c2cccc(F)c2n1C1CCCNC1
InChIInChI=1S/C12H14FN3O/c13-9-4-1-5-10-11(9)16(12(17)15-10)8-3-2-6-14-7-8/h1,4-5,8,14H,2-3,6-7H2,(H,15,17)
InChIKeyWEJUZNWGSHEPFN-UHFFFAOYSA-N
XLogP1.39
TPSA49.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-piperidin-3-yl-1H-benzimidazol-2-one?
The IUPAC name of 4-fluoro-3-piperidin-3-yl-1H-benzimidazol-2-one (CID 84797339) is 4-fluoro-3-piperidin-3-yl-1H-benzimidazol-2-one.
What is the SMILES notation for 4-fluoro-3-piperidin-3-yl-1H-benzimidazol-2-one?
The canonical SMILES for 4-fluoro-3-piperidin-3-yl-1H-benzimidazol-2-one is O=c1[nH]c2cccc(F)c2n1C1CCCNC1.
What is the InChIKey of 4-fluoro-3-piperidin-3-yl-1H-benzimidazol-2-one?
The InChIKey is WEJUZNWGSHEPFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O/c13-9-4-1-5-10-11(9)16(12(17)15-10)8-3-2-6-14-7-8/h1,4-5,8,14H,2-3,6-7H2,(H,15,17).
What are the key properties of 4-fluoro-3-piperidin-3-yl-1H-benzimidazol-2-one?
4-fluoro-3-piperidin-3-yl-1H-benzimidazol-2-one has a molecular weight of 235.26 g/mol, XLogP of 1.39, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-piperidin-3-yl-1H-benzimidazol-2-one is sourced from PubChem (CID 84797339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).