5-chloro-1-(fluoromethyl)-3-piperidin-4-ylbenzimidazol-2-one;hydrochloride

C13H16Cl2FN3O — CID 69190263

IUPAC5-chloro-1-(fluoromethyl)-3-piperidin-4-ylbenzimidazol-2-one;hydrochloride
SMILESCl.O=c1n(CF)c2ccc(Cl)cc2n1C1CCNCC1
InChIInChI=1S/C13H15ClFN3O.ClH/c14-9-1-2-11-12(7-9)18(13(19)17(11)8-15)10-3-5-16-6-4-10;/h1-2,7,10,16H,3-6,8H2;1H
InChIKeyVPQPGVGGSNICQS-UHFFFAOYSA-N
MW320.20 g/mol
LogP2.73
Rot. Bonds2

About 5-chloro-1-(fluoromethyl)-3-piperidin-4-ylbenzimidazol-2-one;hydrochloride

5-chloro-1-(fluoromethyl)-3-piperidin-4-ylbenzimidazol-2-one;hydrochloride (PubChem CID 69190263) has the molecular formula C13H16Cl2FN3O and a molecular weight of 320.20 g/mol. Its IUPAC name is 5-chloro-1-(fluoromethyl)-3-piperidin-4-ylbenzimidazol-2-one;hydrochloride.

Molecular Properties

Compound Name5-chloro-1-(fluoromethyl)-3-piperidin-4-ylbenzimidazol-2-one;hydrochloride
PubChem CID69190263
Molecular FormulaC13H16Cl2FN3O
Molecular Weight320.20 g/mol
Exact Mass319.07
IUPAC Name5-chloro-1-(fluoromethyl)-3-piperidin-4-ylbenzimidazol-2-one;hydrochloride
SMILESCl.O=c1n(CF)c2ccc(Cl)cc2n1C1CCNCC1
InChIInChI=1S/C13H15ClFN3O.ClH/c14-9-1-2-11-12(7-9)18(13(19)17(11)8-15)10-3-5-16-6-4-10;/h1-2,7,10,16H,3-6,8H2;1H
InChIKeyVPQPGVGGSNICQS-UHFFFAOYSA-N
XLogP2.73
TPSA38.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.20
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(fluoromethyl)-3-piperidin-4-ylbenzimidazol-2-one;hydrochloride?
The IUPAC name of 5-chloro-1-(fluoromethyl)-3-piperidin-4-ylbenzimidazol-2-one;hydrochloride (CID 69190263) is 5-chloro-1-(fluoromethyl)-3-piperidin-4-ylbenzimidazol-2-one;hydrochloride.
What is the SMILES notation for 5-chloro-1-(fluoromethyl)-3-piperidin-4-ylbenzimidazol-2-one;hydrochloride?
The canonical SMILES for 5-chloro-1-(fluoromethyl)-3-piperidin-4-ylbenzimidazol-2-one;hydrochloride is Cl.O=c1n(CF)c2ccc(Cl)cc2n1C1CCNCC1.
What is the InChIKey of 5-chloro-1-(fluoromethyl)-3-piperidin-4-ylbenzimidazol-2-one;hydrochloride?
The InChIKey is VPQPGVGGSNICQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFN3O.ClH/c14-9-1-2-11-12(7-9)18(13(19)17(11)8-15)10-3-5-16-6-4-10;/h1-2,7,10,16H,3-6,8H2;1H.
What are the key properties of 5-chloro-1-(fluoromethyl)-3-piperidin-4-ylbenzimidazol-2-one;hydrochloride?
5-chloro-1-(fluoromethyl)-3-piperidin-4-ylbenzimidazol-2-one;hydrochloride has a molecular weight of 320.20 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(fluoromethyl)-3-piperidin-4-ylbenzimidazol-2-one;hydrochloride is sourced from PubChem (CID 69190263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).