4-fluoro-2-(4-methoxypiperidin-4-yl)-1H-benzimidazole

C13H16FN3O — CID 114284435

IUPAC4-fluoro-2-(4-methoxypiperidin-4-yl)-1H-benzimidazole
SMILESCOC1(c2nc3c(F)cccc3[nH]2)CCNCC1
InChIInChI=1S/C13H16FN3O/c1-18-13(5-7-15-8-6-13)12-16-10-4-2-3-9(14)11(10)17-12/h2-4,15H,5-8H2,1H3,(H,16,17)
InChIKeyDSEVSJHXDQGMQF-UHFFFAOYSA-N
MW249.29 g/mol
LogP1.93
Rot. Bonds2

About 4-fluoro-2-(4-methoxypiperidin-4-yl)-1H-benzimidazole

4-fluoro-2-(4-methoxypiperidin-4-yl)-1H-benzimidazole (PubChem CID 114284435) has the molecular formula C13H16FN3O and a molecular weight of 249.29 g/mol. Its IUPAC name is 4-fluoro-2-(4-methoxypiperidin-4-yl)-1H-benzimidazole.

Molecular Properties

Compound Name4-fluoro-2-(4-methoxypiperidin-4-yl)-1H-benzimidazole
PubChem CID114284435
Molecular FormulaC13H16FN3O
Molecular Weight249.29 g/mol
Exact Mass249.13
IUPAC Name4-fluoro-2-(4-methoxypiperidin-4-yl)-1H-benzimidazole
SMILESCOC1(c2nc3c(F)cccc3[nH]2)CCNCC1
InChIInChI=1S/C13H16FN3O/c1-18-13(5-7-15-8-6-13)12-16-10-4-2-3-9(14)11(10)17-12/h2-4,15H,5-8H2,1H3,(H,16,17)
InChIKeyDSEVSJHXDQGMQF-UHFFFAOYSA-N
XLogP1.93
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(4-methoxypiperidin-4-yl)-1H-benzimidazole?
The IUPAC name of 4-fluoro-2-(4-methoxypiperidin-4-yl)-1H-benzimidazole (CID 114284435) is 4-fluoro-2-(4-methoxypiperidin-4-yl)-1H-benzimidazole.
What is the SMILES notation for 4-fluoro-2-(4-methoxypiperidin-4-yl)-1H-benzimidazole?
The canonical SMILES for 4-fluoro-2-(4-methoxypiperidin-4-yl)-1H-benzimidazole is COC1(c2nc3c(F)cccc3[nH]2)CCNCC1.
What is the InChIKey of 4-fluoro-2-(4-methoxypiperidin-4-yl)-1H-benzimidazole?
The InChIKey is DSEVSJHXDQGMQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O/c1-18-13(5-7-15-8-6-13)12-16-10-4-2-3-9(14)11(10)17-12/h2-4,15H,5-8H2,1H3,(H,16,17).
What are the key properties of 4-fluoro-2-(4-methoxypiperidin-4-yl)-1H-benzimidazole?
4-fluoro-2-(4-methoxypiperidin-4-yl)-1H-benzimidazole has a molecular weight of 249.29 g/mol, XLogP of 1.93, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(4-methoxypiperidin-4-yl)-1H-benzimidazole is sourced from PubChem (CID 114284435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).