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

C24H16Cl2N4O3 — CID 71622800

IUPAC5-[[1-(5,6-dichloro-1H-benzimidazol-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)C3c3nc4cc(Cl)c(Cl)cc4[nH]3)ccnc2N1
InChIInChI=1S/C24H16Cl2N4O3/c25-13-8-15-16(9-14(13)26)29-24(28-15)21-20-12-7-10(1-3-17(12)33-22(20)21)32-18-5-6-27-23-11(18)2-4-19(31)30-23/h1,3,5-9,20-22H,2,4H2,(H,28,29)(H,27,30,31)
InChIKeyIOSVSJJCVDYJHK-UHFFFAOYSA-N
MW479.32 g/mol
LogP5.58
Rot. Bonds3

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

5-[[1-(5,6-dichloro-1H-benzimidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one (PubChem CID 71622800) has the molecular formula C24H16Cl2N4O3 and a molecular weight of 479.32 g/mol. Its IUPAC name is 5-[[1-(5,6-dichloro-1H-benzimidazol-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-(5,6-dichloro-1H-benzimidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
PubChem CID71622800
Molecular FormulaC24H16Cl2N4O3
Molecular Weight479.32 g/mol
Exact Mass478.06
IUPAC Name5-[[1-(5,6-dichloro-1H-benzimidazol-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)C3c3nc4cc(Cl)c(Cl)cc4[nH]3)ccnc2N1
InChIInChI=1S/C24H16Cl2N4O3/c25-13-8-15-16(9-14(13)26)29-24(28-15)21-20-12-7-10(1-3-17(12)33-22(20)21)32-18-5-6-27-23-11(18)2-4-19(31)30-23/h1,3,5-9,20-22H,2,4H2,(H,28,29)(H,27,30,31)
InChIKeyIOSVSJJCVDYJHK-UHFFFAOYSA-N
XLogP5.58
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.32
LogP ≤ 55.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[[1-(5,6-dichloro-1H-benzimidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[[1-(5,6-dichloro-1H-benzimidazol-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-(5,6-dichloro-1H-benzimidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one (CID 71622800) is 5-[[1-(5,6-dichloro-1H-benzimidazol-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-(5,6-dichloro-1H-benzimidazol-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-(5,6-dichloro-1H-benzimidazol-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)C3c3nc4cc(Cl)c(Cl)cc4[nH]3)ccnc2N1.
What is the InChIKey of 5-[[1-(5,6-dichloro-1H-benzimidazol-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 IOSVSJJCVDYJHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16Cl2N4O3/c25-13-8-15-16(9-14(13)26)29-24(28-15)21-20-12-7-10(1-3-17(12)33-22(20)21)32-18-5-6-27-23-11(18)2-4-19(31)30-23/h1,3,5-9,20-22H,2,4H2,(H,28,29)(H,27,30,31).
What are the key properties of 5-[[1-(5,6-dichloro-1H-benzimidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
5-[[1-(5,6-dichloro-1H-benzimidazol-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 479.32 g/mol, XLogP of 5.58, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(5,6-dichloro-1H-benzimidazol-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 71622800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).