5-(4,4-dimethylimidazolidin-1-yl)-2-[[3-methyl-3-(trifluoromethyl)-1H-2-benzofuran-5-yl]oxy]pyridine

C20H22F3N3O2 — CID 71090354

IUPAC5-(4,4-dimethylimidazolidin-1-yl)-2-[[3-methyl-3-(trifluoromethyl)-1H-2-benzofuran-5-yl]oxy]pyridine
SMILESCC1(C)CN(c2ccc(Oc3ccc4c(c3)C(C)(C(F)(F)F)OC4)nc2)CN1
InChIInChI=1S/C20H22F3N3O2/c1-18(2)11-26(12-25-18)14-5-7-17(24-9-14)28-15-6-4-13-10-27-19(3,16(13)8-15)20(21,22)23/h4-9,25H,10-12H2,1-3H3
InChIKeyUPVODZZKPDSGAW-UHFFFAOYSA-N
MW393.41 g/mol
LogP4.33
Rot. Bonds3

About 5-(4,4-dimethylimidazolidin-1-yl)-2-[[3-methyl-3-(trifluoromethyl)-1H-2-benzofuran-5-yl]oxy]pyridine

5-(4,4-dimethylimidazolidin-1-yl)-2-[[3-methyl-3-(trifluoromethyl)-1H-2-benzofuran-5-yl]oxy]pyridine (PubChem CID 71090354) has the molecular formula C20H22F3N3O2 and a molecular weight of 393.41 g/mol. Its IUPAC name is 5-(4,4-dimethylimidazolidin-1-yl)-2-[[3-methyl-3-(trifluoromethyl)-1H-2-benzofuran-5-yl]oxy]pyridine.

Molecular Properties

Compound Name5-(4,4-dimethylimidazolidin-1-yl)-2-[[3-methyl-3-(trifluoromethyl)-1H-2-benzofuran-5-yl]oxy]pyridine
PubChem CID71090354
Molecular FormulaC20H22F3N3O2
Molecular Weight393.41 g/mol
Exact Mass393.17
IUPAC Name5-(4,4-dimethylimidazolidin-1-yl)-2-[[3-methyl-3-(trifluoromethyl)-1H-2-benzofuran-5-yl]oxy]pyridine
SMILESCC1(C)CN(c2ccc(Oc3ccc4c(c3)C(C)(C(F)(F)F)OC4)nc2)CN1
InChIInChI=1S/C20H22F3N3O2/c1-18(2)11-26(12-25-18)14-5-7-17(24-9-14)28-15-6-4-13-10-27-19(3,16(13)8-15)20(21,22)23/h4-9,25H,10-12H2,1-3H3
InChIKeyUPVODZZKPDSGAW-UHFFFAOYSA-N
XLogP4.33
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.41
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4,4-dimethylimidazolidin-1-yl)-2-[[3-methyl-3-(trifluoromethyl)-1H-2-benzofuran-5-yl]oxy]pyridine?
The IUPAC name of 5-(4,4-dimethylimidazolidin-1-yl)-2-[[3-methyl-3-(trifluoromethyl)-1H-2-benzofuran-5-yl]oxy]pyridine (CID 71090354) is 5-(4,4-dimethylimidazolidin-1-yl)-2-[[3-methyl-3-(trifluoromethyl)-1H-2-benzofuran-5-yl]oxy]pyridine.
What is the SMILES notation for 5-(4,4-dimethylimidazolidin-1-yl)-2-[[3-methyl-3-(trifluoromethyl)-1H-2-benzofuran-5-yl]oxy]pyridine?
The canonical SMILES for 5-(4,4-dimethylimidazolidin-1-yl)-2-[[3-methyl-3-(trifluoromethyl)-1H-2-benzofuran-5-yl]oxy]pyridine is CC1(C)CN(c2ccc(Oc3ccc4c(c3)C(C)(C(F)(F)F)OC4)nc2)CN1.
What is the InChIKey of 5-(4,4-dimethylimidazolidin-1-yl)-2-[[3-methyl-3-(trifluoromethyl)-1H-2-benzofuran-5-yl]oxy]pyridine?
The InChIKey is UPVODZZKPDSGAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N3O2/c1-18(2)11-26(12-25-18)14-5-7-17(24-9-14)28-15-6-4-13-10-27-19(3,16(13)8-15)20(21,22)23/h4-9,25H,10-12H2,1-3H3.
What are the key properties of 5-(4,4-dimethylimidazolidin-1-yl)-2-[[3-methyl-3-(trifluoromethyl)-1H-2-benzofuran-5-yl]oxy]pyridine?
5-(4,4-dimethylimidazolidin-1-yl)-2-[[3-methyl-3-(trifluoromethyl)-1H-2-benzofuran-5-yl]oxy]pyridine has a molecular weight of 393.41 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,4-dimethylimidazolidin-1-yl)-2-[[3-methyl-3-(trifluoromethyl)-1H-2-benzofuran-5-yl]oxy]pyridine is sourced from PubChem (CID 71090354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).