lithium;7-(4-benzylpiperazin-1-yl)-5-fluoro-1-benzofuran-2-carboxylic acid;hydride

C20H20FLiN2O3 — CID 173024540

IUPAClithium;7-(4-benzylpiperazin-1-yl)-5-fluoro-1-benzofuran-2-carboxylic acid;hydride
SMILESO=C(O)c1cc2cc(F)cc(N3CCN(Cc4ccccc4)CC3)c2o1.[H-].[Li+]
InChIInChI=1S/C20H19FN2O3.Li.H/c21-16-10-15-11-18(20(24)25)26-19(15)17(12-16)23-8-6-22(7-9-23)13-14-4-2-1-3-5-14;;/h1-5,10-12H,6-9,13H2,(H,24,25);;/q;+1;-1
InChIKeyYEEMFQSCBBHCGM-UHFFFAOYSA-N
MW362.33 g/mol
LogP0.71
Rot. Bonds4

About lithium;7-(4-benzylpiperazin-1-yl)-5-fluoro-1-benzofuran-2-carboxylic acid;hydride

lithium;7-(4-benzylpiperazin-1-yl)-5-fluoro-1-benzofuran-2-carboxylic acid;hydride (PubChem CID 173024540) has the molecular formula C20H20FLiN2O3 and a molecular weight of 362.33 g/mol. Its IUPAC name is lithium;7-(4-benzylpiperazin-1-yl)-5-fluoro-1-benzofuran-2-carboxylic acid;hydride.

Molecular Properties

Compound Namelithium;7-(4-benzylpiperazin-1-yl)-5-fluoro-1-benzofuran-2-carboxylic acid;hydride
PubChem CID173024540
Molecular FormulaC20H20FLiN2O3
Molecular Weight362.33 g/mol
Exact Mass362.16
IUPAC Namelithium;7-(4-benzylpiperazin-1-yl)-5-fluoro-1-benzofuran-2-carboxylic acid;hydride
SMILESO=C(O)c1cc2cc(F)cc(N3CCN(Cc4ccccc4)CC3)c2o1.[H-].[Li+]
InChIInChI=1S/C20H19FN2O3.Li.H/c21-16-10-15-11-18(20(24)25)26-19(15)17(12-16)23-8-6-22(7-9-23)13-14-4-2-1-3-5-14;;/h1-5,10-12H,6-9,13H2,(H,24,25);;/q;+1;-1
InChIKeyYEEMFQSCBBHCGM-UHFFFAOYSA-N
XLogP0.71
TPSA56.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.33
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of lithium;7-(4-benzylpiperazin-1-yl)-5-fluoro-1-benzofuran-2-carboxylic acid;hydride?
The IUPAC name of lithium;7-(4-benzylpiperazin-1-yl)-5-fluoro-1-benzofuran-2-carboxylic acid;hydride (CID 173024540) is lithium;7-(4-benzylpiperazin-1-yl)-5-fluoro-1-benzofuran-2-carboxylic acid;hydride.
What is the SMILES notation for lithium;7-(4-benzylpiperazin-1-yl)-5-fluoro-1-benzofuran-2-carboxylic acid;hydride?
The canonical SMILES for lithium;7-(4-benzylpiperazin-1-yl)-5-fluoro-1-benzofuran-2-carboxylic acid;hydride is O=C(O)c1cc2cc(F)cc(N3CCN(Cc4ccccc4)CC3)c2o1.[H-].[Li+].
What is the InChIKey of lithium;7-(4-benzylpiperazin-1-yl)-5-fluoro-1-benzofuran-2-carboxylic acid;hydride?
The InChIKey is YEEMFQSCBBHCGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O3.Li.H/c21-16-10-15-11-18(20(24)25)26-19(15)17(12-16)23-8-6-22(7-9-23)13-14-4-2-1-3-5-14;;/h1-5,10-12H,6-9,13H2,(H,24,25);;/q;+1;-1.
What are the key properties of lithium;7-(4-benzylpiperazin-1-yl)-5-fluoro-1-benzofuran-2-carboxylic acid;hydride?
lithium;7-(4-benzylpiperazin-1-yl)-5-fluoro-1-benzofuran-2-carboxylic acid;hydride has a molecular weight of 362.33 g/mol, XLogP of 0.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;7-(4-benzylpiperazin-1-yl)-5-fluoro-1-benzofuran-2-carboxylic acid;hydride is sourced from PubChem (CID 173024540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).