1-fluoro-3-piperidin-4-ylbenzimidazol-2-one;hydrochloride

C12H15ClFN3O — CID 18789484

IUPAC1-fluoro-3-piperidin-4-ylbenzimidazol-2-one;hydrochloride
SMILESCl.O=c1n(F)c2ccccc2n1C1CCNCC1
InChIInChI=1S/C12H14FN3O.ClH/c13-16-11-4-2-1-3-10(11)15(12(16)17)9-5-7-14-8-6-9;/h1-4,9,14H,5-8H2;1H
InChIKeyDBEYPHSUTNANMS-UHFFFAOYSA-N
MW271.72 g/mol
LogP1.88
Rot. Bonds1

About 1-fluoro-3-piperidin-4-ylbenzimidazol-2-one;hydrochloride

1-fluoro-3-piperidin-4-ylbenzimidazol-2-one;hydrochloride (PubChem CID 18789484) has the molecular formula C12H15ClFN3O and a molecular weight of 271.72 g/mol. Its IUPAC name is 1-fluoro-3-piperidin-4-ylbenzimidazol-2-one;hydrochloride.

Molecular Properties

Compound Name1-fluoro-3-piperidin-4-ylbenzimidazol-2-one;hydrochloride
PubChem CID18789484
Molecular FormulaC12H15ClFN3O
Molecular Weight271.72 g/mol
Exact Mass271.09
IUPAC Name1-fluoro-3-piperidin-4-ylbenzimidazol-2-one;hydrochloride
SMILESCl.O=c1n(F)c2ccccc2n1C1CCNCC1
InChIInChI=1S/C12H14FN3O.ClH/c13-16-11-4-2-1-3-10(11)15(12(16)17)9-5-7-14-8-6-9;/h1-4,9,14H,5-8H2;1H
InChIKeyDBEYPHSUTNANMS-UHFFFAOYSA-N
XLogP1.88
TPSA38.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.72
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-piperidin-4-ylbenzimidazol-2-one;hydrochloride?
The IUPAC name of 1-fluoro-3-piperidin-4-ylbenzimidazol-2-one;hydrochloride (CID 18789484) is 1-fluoro-3-piperidin-4-ylbenzimidazol-2-one;hydrochloride.
What is the SMILES notation for 1-fluoro-3-piperidin-4-ylbenzimidazol-2-one;hydrochloride?
The canonical SMILES for 1-fluoro-3-piperidin-4-ylbenzimidazol-2-one;hydrochloride is Cl.O=c1n(F)c2ccccc2n1C1CCNCC1.
What is the InChIKey of 1-fluoro-3-piperidin-4-ylbenzimidazol-2-one;hydrochloride?
The InChIKey is DBEYPHSUTNANMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O.ClH/c13-16-11-4-2-1-3-10(11)15(12(16)17)9-5-7-14-8-6-9;/h1-4,9,14H,5-8H2;1H.
What are the key properties of 1-fluoro-3-piperidin-4-ylbenzimidazol-2-one;hydrochloride?
1-fluoro-3-piperidin-4-ylbenzimidazol-2-one;hydrochloride has a molecular weight of 271.72 g/mol, XLogP of 1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-piperidin-4-ylbenzimidazol-2-one;hydrochloride is sourced from PubChem (CID 18789484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).