5-fluoro-1-(1-propan-2-ylpiperidin-3-yl)benzimidazole

C15H20FN3 — CID 141100470

IUPAC5-fluoro-1-(1-propan-2-ylpiperidin-3-yl)benzimidazole
SMILESCC(C)N1CCCC(n2cnc3cc(F)ccc32)C1
InChIInChI=1S/C15H20FN3/c1-11(2)18-7-3-4-13(9-18)19-10-17-14-8-12(16)5-6-15(14)19/h5-6,8,10-11,13H,3-4,7,9H2,1-2H3
InChIKeyUYQRWBBPIJEYOW-UHFFFAOYSA-N
MW261.34 g/mol
LogP3.22
Rot. Bonds2

About 5-fluoro-1-(1-propan-2-ylpiperidin-3-yl)benzimidazole

5-fluoro-1-(1-propan-2-ylpiperidin-3-yl)benzimidazole (PubChem CID 141100470) has the molecular formula C15H20FN3 and a molecular weight of 261.34 g/mol. Its IUPAC name is 5-fluoro-1-(1-propan-2-ylpiperidin-3-yl)benzimidazole.

Molecular Properties

Compound Name5-fluoro-1-(1-propan-2-ylpiperidin-3-yl)benzimidazole
PubChem CID141100470
Molecular FormulaC15H20FN3
Molecular Weight261.34 g/mol
Exact Mass261.16
IUPAC Name5-fluoro-1-(1-propan-2-ylpiperidin-3-yl)benzimidazole
SMILESCC(C)N1CCCC(n2cnc3cc(F)ccc32)C1
InChIInChI=1S/C15H20FN3/c1-11(2)18-7-3-4-13(9-18)19-10-17-14-8-12(16)5-6-15(14)19/h5-6,8,10-11,13H,3-4,7,9H2,1-2H3
InChIKeyUYQRWBBPIJEYOW-UHFFFAOYSA-N
XLogP3.22
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-(1-propan-2-ylpiperidin-3-yl)benzimidazole?
The IUPAC name of 5-fluoro-1-(1-propan-2-ylpiperidin-3-yl)benzimidazole (CID 141100470) is 5-fluoro-1-(1-propan-2-ylpiperidin-3-yl)benzimidazole.
What is the SMILES notation for 5-fluoro-1-(1-propan-2-ylpiperidin-3-yl)benzimidazole?
The canonical SMILES for 5-fluoro-1-(1-propan-2-ylpiperidin-3-yl)benzimidazole is CC(C)N1CCCC(n2cnc3cc(F)ccc32)C1.
What is the InChIKey of 5-fluoro-1-(1-propan-2-ylpiperidin-3-yl)benzimidazole?
The InChIKey is UYQRWBBPIJEYOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3/c1-11(2)18-7-3-4-13(9-18)19-10-17-14-8-12(16)5-6-15(14)19/h5-6,8,10-11,13H,3-4,7,9H2,1-2H3.
What are the key properties of 5-fluoro-1-(1-propan-2-ylpiperidin-3-yl)benzimidazole?
5-fluoro-1-(1-propan-2-ylpiperidin-3-yl)benzimidazole has a molecular weight of 261.34 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-(1-propan-2-ylpiperidin-3-yl)benzimidazole is sourced from PubChem (CID 141100470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).