6-fluoro-5-methyl-3-piperidin-4-yl-1H-benzimidazol-2-one

C13H16FN3O — CID 59850210

IUPAC6-fluoro-5-methyl-3-piperidin-4-yl-1H-benzimidazol-2-one
SMILESCc1cc2c(cc1F)[nH]c(=O)n2C1CCNCC1
InChIInChI=1S/C13H16FN3O/c1-8-6-12-11(7-10(8)14)16-13(18)17(12)9-2-4-15-5-3-9/h6-7,9,15H,2-5H2,1H3,(H,16,18)
InChIKeyDJHNGKHLCGPXLW-UHFFFAOYSA-N
MW249.29 g/mol
LogP1.70
Rot. Bonds1

About 6-fluoro-5-methyl-3-piperidin-4-yl-1H-benzimidazol-2-one

6-fluoro-5-methyl-3-piperidin-4-yl-1H-benzimidazol-2-one (PubChem CID 59850210) has the molecular formula C13H16FN3O and a molecular weight of 249.29 g/mol. Its IUPAC name is 6-fluoro-5-methyl-3-piperidin-4-yl-1H-benzimidazol-2-one.

Molecular Properties

Compound Name6-fluoro-5-methyl-3-piperidin-4-yl-1H-benzimidazol-2-one
PubChem CID59850210
Molecular FormulaC13H16FN3O
Molecular Weight249.29 g/mol
Exact Mass249.13
IUPAC Name6-fluoro-5-methyl-3-piperidin-4-yl-1H-benzimidazol-2-one
SMILESCc1cc2c(cc1F)[nH]c(=O)n2C1CCNCC1
InChIInChI=1S/C13H16FN3O/c1-8-6-12-11(7-10(8)14)16-13(18)17(12)9-2-4-15-5-3-9/h6-7,9,15H,2-5H2,1H3,(H,16,18)
InChIKeyDJHNGKHLCGPXLW-UHFFFAOYSA-N
XLogP1.70
TPSA49.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-5-methyl-3-piperidin-4-yl-1H-benzimidazol-2-one?
The IUPAC name of 6-fluoro-5-methyl-3-piperidin-4-yl-1H-benzimidazol-2-one (CID 59850210) is 6-fluoro-5-methyl-3-piperidin-4-yl-1H-benzimidazol-2-one.
What is the SMILES notation for 6-fluoro-5-methyl-3-piperidin-4-yl-1H-benzimidazol-2-one?
The canonical SMILES for 6-fluoro-5-methyl-3-piperidin-4-yl-1H-benzimidazol-2-one is Cc1cc2c(cc1F)[nH]c(=O)n2C1CCNCC1.
What is the InChIKey of 6-fluoro-5-methyl-3-piperidin-4-yl-1H-benzimidazol-2-one?
The InChIKey is DJHNGKHLCGPXLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O/c1-8-6-12-11(7-10(8)14)16-13(18)17(12)9-2-4-15-5-3-9/h6-7,9,15H,2-5H2,1H3,(H,16,18).
What are the key properties of 6-fluoro-5-methyl-3-piperidin-4-yl-1H-benzimidazol-2-one?
6-fluoro-5-methyl-3-piperidin-4-yl-1H-benzimidazol-2-one has a molecular weight of 249.29 g/mol, XLogP of 1.70, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-5-methyl-3-piperidin-4-yl-1H-benzimidazol-2-one is sourced from PubChem (CID 59850210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).