5-[[1-[5-(2-chlorophenyl)-1H-imidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one

C26H19ClN4O3 — CID 71621372

IUPAC5-[[1-[5-(2-chlorophenyl)-1H-imidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
SMILESO=C1CCc2c(Oc3ccc4c(c3)C3C(O4)C3c3ncc(-c4ccccc4Cl)[nH]3)ccnc2N1
InChIInChI=1S/C26H19ClN4O3/c27-17-4-2-1-3-14(17)18-12-29-26(30-18)23-22-16-11-13(5-7-19(16)34-24(22)23)33-20-9-10-28-25-15(20)6-8-21(32)31-25/h1-5,7,9-12,22-24H,6,8H2,(H,29,30)(H,28,31,32)
InChIKeyFLYYVGRPIJPSHF-UHFFFAOYSA-N
MW470.92 g/mol
LogP5.44
Rot. Bonds4

About 5-[[1-[5-(2-chlorophenyl)-1H-imidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one

5-[[1-[5-(2-chlorophenyl)-1H-imidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one (PubChem CID 71621372) has the molecular formula C26H19ClN4O3 and a molecular weight of 470.92 g/mol. Its IUPAC name is 5-[[1-[5-(2-chlorophenyl)-1H-imidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name5-[[1-[5-(2-chlorophenyl)-1H-imidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
PubChem CID71621372
Molecular FormulaC26H19ClN4O3
Molecular Weight470.92 g/mol
Exact Mass470.11
IUPAC Name5-[[1-[5-(2-chlorophenyl)-1H-imidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
SMILESO=C1CCc2c(Oc3ccc4c(c3)C3C(O4)C3c3ncc(-c4ccccc4Cl)[nH]3)ccnc2N1
InChIInChI=1S/C26H19ClN4O3/c27-17-4-2-1-3-14(17)18-12-29-26(30-18)23-22-16-11-13(5-7-19(16)34-24(22)23)33-20-9-10-28-25-15(20)6-8-21(32)31-25/h1-5,7,9-12,22-24H,6,8H2,(H,29,30)(H,28,31,32)
InChIKeyFLYYVGRPIJPSHF-UHFFFAOYSA-N
XLogP5.44
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.92
LogP ≤ 55.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[1-[5-(2-chlorophenyl)-1H-imidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The IUPAC name of 5-[[1-[5-(2-chlorophenyl)-1H-imidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one (CID 71621372) is 5-[[1-[5-(2-chlorophenyl)-1H-imidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one.
What is the SMILES notation for 5-[[1-[5-(2-chlorophenyl)-1H-imidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The canonical SMILES for 5-[[1-[5-(2-chlorophenyl)-1H-imidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one is O=C1CCc2c(Oc3ccc4c(c3)C3C(O4)C3c3ncc(-c4ccccc4Cl)[nH]3)ccnc2N1.
What is the InChIKey of 5-[[1-[5-(2-chlorophenyl)-1H-imidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The InChIKey is FLYYVGRPIJPSHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19ClN4O3/c27-17-4-2-1-3-14(17)18-12-29-26(30-18)23-22-16-11-13(5-7-19(16)34-24(22)23)33-20-9-10-28-25-15(20)6-8-21(32)31-25/h1-5,7,9-12,22-24H,6,8H2,(H,29,30)(H,28,31,32).
What are the key properties of 5-[[1-[5-(2-chlorophenyl)-1H-imidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
5-[[1-[5-(2-chlorophenyl)-1H-imidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one has a molecular weight of 470.92 g/mol, XLogP of 5.44, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-[5-(2-chlorophenyl)-1H-imidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one is sourced from PubChem (CID 71621372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).