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

C24H18N4O4 — CID 71621201

IUPAC5-[[1-(6-hydroxy-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)C3c3nc4ccc(O)cc4[nH]3)ccnc2N1
InChIInChI=1S/C24H18N4O4/c29-11-1-4-15-16(9-11)27-24(26-15)21-20-14-10-12(2-5-17(14)32-22(20)21)31-18-7-8-25-23-13(18)3-6-19(30)28-23/h1-2,4-5,7-10,20-22,29H,3,6H2,(H,26,27)(H,25,28,30)
InChIKeyTZHMJQXRGXBECU-UHFFFAOYSA-N
MW426.43 g/mol
LogP3.98
Rot. Bonds3

About 5-[[1-(6-hydroxy-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-(6-hydroxy-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 71621201) has the molecular formula C24H18N4O4 and a molecular weight of 426.43 g/mol. Its IUPAC name is 5-[[1-(6-hydroxy-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-(6-hydroxy-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 CID71621201
Molecular FormulaC24H18N4O4
Molecular Weight426.43 g/mol
Exact Mass426.13
IUPAC Name5-[[1-(6-hydroxy-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)C3c3nc4ccc(O)cc4[nH]3)ccnc2N1
InChIInChI=1S/C24H18N4O4/c29-11-1-4-15-16(9-11)27-24(26-15)21-20-14-10-12(2-5-17(14)32-22(20)21)31-18-7-8-25-23-13(18)3-6-19(30)28-23/h1-2,4-5,7-10,20-22,29H,3,6H2,(H,26,27)(H,25,28,30)
InChIKeyTZHMJQXRGXBECU-UHFFFAOYSA-N
XLogP3.98
TPSA109.36 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.43
LogP ≤ 53.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-[[1-(6-hydroxy-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-(6-hydroxy-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-(6-hydroxy-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 71621201) is 5-[[1-(6-hydroxy-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-(6-hydroxy-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-(6-hydroxy-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)C3c3nc4ccc(O)cc4[nH]3)ccnc2N1.
What is the InChIKey of 5-[[1-(6-hydroxy-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 TZHMJQXRGXBECU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4O4/c29-11-1-4-15-16(9-11)27-24(26-15)21-20-14-10-12(2-5-17(14)32-22(20)21)31-18-7-8-25-23-13(18)3-6-19(30)28-23/h1-2,4-5,7-10,20-22,29H,3,6H2,(H,26,27)(H,25,28,30).
What are the key properties of 5-[[1-(6-hydroxy-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-(6-hydroxy-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 426.43 g/mol, XLogP of 3.98, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(6-hydroxy-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 71621201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).