5-bromo-6-fluoro-2-(4-propylpiperidin-4-yl)-1H-benzimidazole

C15H19BrFN3 — CID 79630635

IUPAC5-bromo-6-fluoro-2-(4-propylpiperidin-4-yl)-1H-benzimidazole
SMILESCCCC1(c2nc3cc(Br)c(F)cc3[nH]2)CCNCC1
InChIInChI=1S/C15H19BrFN3/c1-2-3-15(4-6-18-7-5-15)14-19-12-8-10(16)11(17)9-13(12)20-14/h8-9,18H,2-7H2,1H3,(H,19,20)
InChIKeyXQLQLKJQRCPQHG-UHFFFAOYSA-N
MW340.24 g/mol
LogP3.89
Rot. Bonds3

About 5-bromo-6-fluoro-2-(4-propylpiperidin-4-yl)-1H-benzimidazole

5-bromo-6-fluoro-2-(4-propylpiperidin-4-yl)-1H-benzimidazole (PubChem CID 79630635) has the molecular formula C15H19BrFN3 and a molecular weight of 340.24 g/mol. Its IUPAC name is 5-bromo-6-fluoro-2-(4-propylpiperidin-4-yl)-1H-benzimidazole.

Molecular Properties

Compound Name5-bromo-6-fluoro-2-(4-propylpiperidin-4-yl)-1H-benzimidazole
PubChem CID79630635
Molecular FormulaC15H19BrFN3
Molecular Weight340.24 g/mol
Exact Mass339.07
IUPAC Name5-bromo-6-fluoro-2-(4-propylpiperidin-4-yl)-1H-benzimidazole
SMILESCCCC1(c2nc3cc(Br)c(F)cc3[nH]2)CCNCC1
InChIInChI=1S/C15H19BrFN3/c1-2-3-15(4-6-18-7-5-15)14-19-12-8-10(16)11(17)9-13(12)20-14/h8-9,18H,2-7H2,1H3,(H,19,20)
InChIKeyXQLQLKJQRCPQHG-UHFFFAOYSA-N
XLogP3.89
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.24
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-fluoro-2-(4-propylpiperidin-4-yl)-1H-benzimidazole?
The IUPAC name of 5-bromo-6-fluoro-2-(4-propylpiperidin-4-yl)-1H-benzimidazole (CID 79630635) is 5-bromo-6-fluoro-2-(4-propylpiperidin-4-yl)-1H-benzimidazole.
What is the SMILES notation for 5-bromo-6-fluoro-2-(4-propylpiperidin-4-yl)-1H-benzimidazole?
The canonical SMILES for 5-bromo-6-fluoro-2-(4-propylpiperidin-4-yl)-1H-benzimidazole is CCCC1(c2nc3cc(Br)c(F)cc3[nH]2)CCNCC1.
What is the InChIKey of 5-bromo-6-fluoro-2-(4-propylpiperidin-4-yl)-1H-benzimidazole?
The InChIKey is XQLQLKJQRCPQHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrFN3/c1-2-3-15(4-6-18-7-5-15)14-19-12-8-10(16)11(17)9-13(12)20-14/h8-9,18H,2-7H2,1H3,(H,19,20).
What are the key properties of 5-bromo-6-fluoro-2-(4-propylpiperidin-4-yl)-1H-benzimidazole?
5-bromo-6-fluoro-2-(4-propylpiperidin-4-yl)-1H-benzimidazole has a molecular weight of 340.24 g/mol, XLogP of 3.89, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-fluoro-2-(4-propylpiperidin-4-yl)-1H-benzimidazole is sourced from PubChem (CID 79630635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).