1'-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]spiro[2-benzofuran-3,4'-piperidine]-1-one

C20H16F3N3O2 — CID 10110741

IUPAC1'-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]spiro[2-benzofuran-3,4'-piperidine]-1-one
SMILESO=C1OC2(CCN(c3nc4ccc(C(F)(F)F)cc4[nH]3)CC2)c2ccccc21
InChIInChI=1S/C20H16F3N3O2/c21-20(22,23)12-5-6-15-16(11-12)25-18(24-15)26-9-7-19(8-10-26)14-4-2-1-3-13(14)17(27)28-19/h1-6,11H,7-10H2,(H,24,25)
InChIKeyGOSQWFMKXKORBV-UHFFFAOYSA-N
MW387.36 g/mol
LogP4.25
Rot. Bonds1

About 1'-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]spiro[2-benzofuran-3,4'-piperidine]-1-one

1'-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]spiro[2-benzofuran-3,4'-piperidine]-1-one (PubChem CID 10110741) has the molecular formula C20H16F3N3O2 and a molecular weight of 387.36 g/mol. Its IUPAC name is 1'-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]spiro[2-benzofuran-3,4'-piperidine]-1-one.

Molecular Properties

Compound Name1'-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]spiro[2-benzofuran-3,4'-piperidine]-1-one
PubChem CID10110741
Molecular FormulaC20H16F3N3O2
Molecular Weight387.36 g/mol
Exact Mass387.12
IUPAC Name1'-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]spiro[2-benzofuran-3,4'-piperidine]-1-one
SMILESO=C1OC2(CCN(c3nc4ccc(C(F)(F)F)cc4[nH]3)CC2)c2ccccc21
InChIInChI=1S/C20H16F3N3O2/c21-20(22,23)12-5-6-15-16(11-12)25-18(24-15)26-9-7-19(8-10-26)14-4-2-1-3-13(14)17(27)28-19/h1-6,11H,7-10H2,(H,24,25)
InChIKeyGOSQWFMKXKORBV-UHFFFAOYSA-N
XLogP4.25
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.36
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1'-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]spiro[2-benzofuran-3,4'-piperidine]-1-one?
The IUPAC name of 1'-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]spiro[2-benzofuran-3,4'-piperidine]-1-one (CID 10110741) is 1'-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]spiro[2-benzofuran-3,4'-piperidine]-1-one.
What is the SMILES notation for 1'-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]spiro[2-benzofuran-3,4'-piperidine]-1-one?
The canonical SMILES for 1'-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]spiro[2-benzofuran-3,4'-piperidine]-1-one is O=C1OC2(CCN(c3nc4ccc(C(F)(F)F)cc4[nH]3)CC2)c2ccccc21.
What is the InChIKey of 1'-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]spiro[2-benzofuran-3,4'-piperidine]-1-one?
The InChIKey is GOSQWFMKXKORBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N3O2/c21-20(22,23)12-5-6-15-16(11-12)25-18(24-15)26-9-7-19(8-10-26)14-4-2-1-3-13(14)17(27)28-19/h1-6,11H,7-10H2,(H,24,25).
What are the key properties of 1'-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]spiro[2-benzofuran-3,4'-piperidine]-1-one?
1'-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]spiro[2-benzofuran-3,4'-piperidine]-1-one has a molecular weight of 387.36 g/mol, XLogP of 4.25, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]spiro[2-benzofuran-3,4'-piperidine]-1-one is sourced from PubChem (CID 10110741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).