1-[2-[6-[(6-fluoro-3-pyridinyl)oxy]-2-pyridin-2-yl-3H-benzimidazol-5-yl]pyrrolidin-1-yl]ethanone

C23H20FN5O2 — CID 23145464

IUPAC1-[2-[6-[(6-fluoro-3-pyridinyl)oxy]-2-pyridin-2-yl-3H-benzimidazol-5-yl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCCC1c1cc2[nH]c(-c3ccccn3)nc2cc1Oc1ccc(F)nc1
InChIInChI=1S/C23H20FN5O2/c1-14(30)29-10-4-6-20(29)16-11-18-19(28-23(27-18)17-5-2-3-9-25-17)12-21(16)31-15-7-8-22(24)26-13-15/h2-3,5,7-9,11-13,20H,4,6,10H2,1H3,(H,27,28)
InChIKeyHLFOSPBQGSLNQY-UHFFFAOYSA-N
MW417.44 g/mol
LogP4.63
Rot. Bonds4

About 1-[2-[6-[(6-fluoro-3-pyridinyl)oxy]-2-pyridin-2-yl-3H-benzimidazol-5-yl]pyrrolidin-1-yl]ethanone

1-[2-[6-[(6-fluoro-3-pyridinyl)oxy]-2-pyridin-2-yl-3H-benzimidazol-5-yl]pyrrolidin-1-yl]ethanone (PubChem CID 23145464) has the molecular formula C23H20FN5O2 and a molecular weight of 417.44 g/mol. Its IUPAC name is 1-[2-[6-[(6-fluoro-3-pyridinyl)oxy]-2-pyridin-2-yl-3H-benzimidazol-5-yl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[2-[6-[(6-fluoro-3-pyridinyl)oxy]-2-pyridin-2-yl-3H-benzimidazol-5-yl]pyrrolidin-1-yl]ethanone
PubChem CID23145464
Molecular FormulaC23H20FN5O2
Molecular Weight417.44 g/mol
Exact Mass417.16
IUPAC Name1-[2-[6-[(6-fluoro-3-pyridinyl)oxy]-2-pyridin-2-yl-3H-benzimidazol-5-yl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCCC1c1cc2[nH]c(-c3ccccn3)nc2cc1Oc1ccc(F)nc1
InChIInChI=1S/C23H20FN5O2/c1-14(30)29-10-4-6-20(29)16-11-18-19(28-23(27-18)17-5-2-3-9-25-17)12-21(16)31-15-7-8-22(24)26-13-15/h2-3,5,7-9,11-13,20H,4,6,10H2,1H3,(H,27,28)
InChIKeyHLFOSPBQGSLNQY-UHFFFAOYSA-N
XLogP4.63
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.44
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[6-[(6-fluoro-3-pyridinyl)oxy]-2-pyridin-2-yl-3H-benzimidazol-5-yl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[2-[6-[(6-fluoro-3-pyridinyl)oxy]-2-pyridin-2-yl-3H-benzimidazol-5-yl]pyrrolidin-1-yl]ethanone (CID 23145464) is 1-[2-[6-[(6-fluoro-3-pyridinyl)oxy]-2-pyridin-2-yl-3H-benzimidazol-5-yl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[2-[6-[(6-fluoro-3-pyridinyl)oxy]-2-pyridin-2-yl-3H-benzimidazol-5-yl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[2-[6-[(6-fluoro-3-pyridinyl)oxy]-2-pyridin-2-yl-3H-benzimidazol-5-yl]pyrrolidin-1-yl]ethanone is CC(=O)N1CCCC1c1cc2[nH]c(-c3ccccn3)nc2cc1Oc1ccc(F)nc1.
What is the InChIKey of 1-[2-[6-[(6-fluoro-3-pyridinyl)oxy]-2-pyridin-2-yl-3H-benzimidazol-5-yl]pyrrolidin-1-yl]ethanone?
The InChIKey is HLFOSPBQGSLNQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN5O2/c1-14(30)29-10-4-6-20(29)16-11-18-19(28-23(27-18)17-5-2-3-9-25-17)12-21(16)31-15-7-8-22(24)26-13-15/h2-3,5,7-9,11-13,20H,4,6,10H2,1H3,(H,27,28).
What are the key properties of 1-[2-[6-[(6-fluoro-3-pyridinyl)oxy]-2-pyridin-2-yl-3H-benzimidazol-5-yl]pyrrolidin-1-yl]ethanone?
1-[2-[6-[(6-fluoro-3-pyridinyl)oxy]-2-pyridin-2-yl-3H-benzimidazol-5-yl]pyrrolidin-1-yl]ethanone has a molecular weight of 417.44 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[6-[(6-fluoro-3-pyridinyl)oxy]-2-pyridin-2-yl-3H-benzimidazol-5-yl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 23145464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).