7-fluoro-1-[2-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]piperazin-1-yl]ethyl]-1,5-naphthyridin-2-one

C22H20F4N6O — CID 118709264

IUPAC7-fluoro-1-[2-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]piperazin-1-yl]ethyl]-1,5-naphthyridin-2-one
SMILESO=c1ccc2ncc(F)cc2n1CCN1CCN(c2nc3ccc(C(F)(F)F)cc3[nH]2)CC1
InChIInChI=1S/C22H20F4N6O/c23-15-12-19-17(27-13-15)3-4-20(33)32(19)10-7-30-5-8-31(9-6-30)21-28-16-2-1-14(22(24,25)26)11-18(16)29-21/h1-4,11-13H,5-10H2,(H,28,29)
InChIKeyHKZHDSLUFGVTQW-UHFFFAOYSA-N
MW460.44 g/mol
LogP3.25
Rot. Bonds4

About 7-fluoro-1-[2-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]piperazin-1-yl]ethyl]-1,5-naphthyridin-2-one

7-fluoro-1-[2-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]piperazin-1-yl]ethyl]-1,5-naphthyridin-2-one (PubChem CID 118709264) has the molecular formula C22H20F4N6O and a molecular weight of 460.44 g/mol. Its IUPAC name is 7-fluoro-1-[2-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]piperazin-1-yl]ethyl]-1,5-naphthyridin-2-one.

Molecular Properties

Compound Name7-fluoro-1-[2-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]piperazin-1-yl]ethyl]-1,5-naphthyridin-2-one
PubChem CID118709264
Molecular FormulaC22H20F4N6O
Molecular Weight460.44 g/mol
Exact Mass460.16
IUPAC Name7-fluoro-1-[2-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]piperazin-1-yl]ethyl]-1,5-naphthyridin-2-one
SMILESO=c1ccc2ncc(F)cc2n1CCN1CCN(c2nc3ccc(C(F)(F)F)cc3[nH]2)CC1
InChIInChI=1S/C22H20F4N6O/c23-15-12-19-17(27-13-15)3-4-20(33)32(19)10-7-30-5-8-31(9-6-30)21-28-16-2-1-14(22(24,25)26)11-18(16)29-21/h1-4,11-13H,5-10H2,(H,28,29)
InChIKeyHKZHDSLUFGVTQW-UHFFFAOYSA-N
XLogP3.25
TPSA70.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.44
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-1-[2-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]piperazin-1-yl]ethyl]-1,5-naphthyridin-2-one?
The IUPAC name of 7-fluoro-1-[2-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]piperazin-1-yl]ethyl]-1,5-naphthyridin-2-one (CID 118709264) is 7-fluoro-1-[2-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]piperazin-1-yl]ethyl]-1,5-naphthyridin-2-one.
What is the SMILES notation for 7-fluoro-1-[2-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]piperazin-1-yl]ethyl]-1,5-naphthyridin-2-one?
The canonical SMILES for 7-fluoro-1-[2-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]piperazin-1-yl]ethyl]-1,5-naphthyridin-2-one is O=c1ccc2ncc(F)cc2n1CCN1CCN(c2nc3ccc(C(F)(F)F)cc3[nH]2)CC1.
What is the InChIKey of 7-fluoro-1-[2-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]piperazin-1-yl]ethyl]-1,5-naphthyridin-2-one?
The InChIKey is HKZHDSLUFGVTQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F4N6O/c23-15-12-19-17(27-13-15)3-4-20(33)32(19)10-7-30-5-8-31(9-6-30)21-28-16-2-1-14(22(24,25)26)11-18(16)29-21/h1-4,11-13H,5-10H2,(H,28,29).
What are the key properties of 7-fluoro-1-[2-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]piperazin-1-yl]ethyl]-1,5-naphthyridin-2-one?
7-fluoro-1-[2-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]piperazin-1-yl]ethyl]-1,5-naphthyridin-2-one has a molecular weight of 460.44 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-1-[2-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]piperazin-1-yl]ethyl]-1,5-naphthyridin-2-one is sourced from PubChem (CID 118709264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).