8-[4-[2-(5-fluorobenzimidazol-1-yl)ethyl]piperazin-1-yl]sulfonylquinoline

C22H22FN5O2S — CID 126858321

IUPAC8-[4-[2-(5-fluorobenzimidazol-1-yl)ethyl]piperazin-1-yl]sulfonylquinoline
SMILESO=S(=O)(c1cccc2cccnc12)N1CCN(CCn2cnc3cc(F)ccc32)CC1
InChIInChI=1S/C22H22FN5O2S/c23-18-6-7-20-19(15-18)25-16-27(20)12-9-26-10-13-28(14-11-26)31(29,30)21-5-1-3-17-4-2-8-24-22(17)21/h1-8,15-16H,9-14H2
InChIKeyHDCOZBOIXSHLTN-UHFFFAOYSA-N
MW439.52 g/mol
LogP2.73
Rot. Bonds5

About 8-[4-[2-(5-fluorobenzimidazol-1-yl)ethyl]piperazin-1-yl]sulfonylquinoline

8-[4-[2-(5-fluorobenzimidazol-1-yl)ethyl]piperazin-1-yl]sulfonylquinoline (PubChem CID 126858321) has the molecular formula C22H22FN5O2S and a molecular weight of 439.52 g/mol. Its IUPAC name is 8-[4-[2-(5-fluorobenzimidazol-1-yl)ethyl]piperazin-1-yl]sulfonylquinoline.

Molecular Properties

Compound Name8-[4-[2-(5-fluorobenzimidazol-1-yl)ethyl]piperazin-1-yl]sulfonylquinoline
PubChem CID126858321
Molecular FormulaC22H22FN5O2S
Molecular Weight439.52 g/mol
Exact Mass439.15
IUPAC Name8-[4-[2-(5-fluorobenzimidazol-1-yl)ethyl]piperazin-1-yl]sulfonylquinoline
SMILESO=S(=O)(c1cccc2cccnc12)N1CCN(CCn2cnc3cc(F)ccc32)CC1
InChIInChI=1S/C22H22FN5O2S/c23-18-6-7-20-19(15-18)25-16-27(20)12-9-26-10-13-28(14-11-26)31(29,30)21-5-1-3-17-4-2-8-24-22(17)21/h1-8,15-16H,9-14H2
InChIKeyHDCOZBOIXSHLTN-UHFFFAOYSA-N
XLogP2.73
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-[4-[2-(5-fluorobenzimidazol-1-yl)ethyl]piperazin-1-yl]sulfonylquinoline?
The IUPAC name of 8-[4-[2-(5-fluorobenzimidazol-1-yl)ethyl]piperazin-1-yl]sulfonylquinoline (CID 126858321) is 8-[4-[2-(5-fluorobenzimidazol-1-yl)ethyl]piperazin-1-yl]sulfonylquinoline.
What is the SMILES notation for 8-[4-[2-(5-fluorobenzimidazol-1-yl)ethyl]piperazin-1-yl]sulfonylquinoline?
The canonical SMILES for 8-[4-[2-(5-fluorobenzimidazol-1-yl)ethyl]piperazin-1-yl]sulfonylquinoline is O=S(=O)(c1cccc2cccnc12)N1CCN(CCn2cnc3cc(F)ccc32)CC1.
What is the InChIKey of 8-[4-[2-(5-fluorobenzimidazol-1-yl)ethyl]piperazin-1-yl]sulfonylquinoline?
The InChIKey is HDCOZBOIXSHLTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN5O2S/c23-18-6-7-20-19(15-18)25-16-27(20)12-9-26-10-13-28(14-11-26)31(29,30)21-5-1-3-17-4-2-8-24-22(17)21/h1-8,15-16H,9-14H2.
What are the key properties of 8-[4-[2-(5-fluorobenzimidazol-1-yl)ethyl]piperazin-1-yl]sulfonylquinoline?
8-[4-[2-(5-fluorobenzimidazol-1-yl)ethyl]piperazin-1-yl]sulfonylquinoline has a molecular weight of 439.52 g/mol, XLogP of 2.73, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-[2-(5-fluorobenzimidazol-1-yl)ethyl]piperazin-1-yl]sulfonylquinoline is sourced from PubChem (CID 126858321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).