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

C25H20N4O3 — CID 71620740

IUPAC5-[[1-(1-methylbenzimidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
SMILESCn1c(C2C3Oc4ccc(Oc5ccnc6c5CCC(=O)N6)cc4C32)nc2ccccc21
InChIInChI=1S/C25H20N4O3/c1-29-17-5-3-2-4-16(17)27-25(29)22-21-15-12-13(6-8-18(15)32-23(21)22)31-19-10-11-26-24-14(19)7-9-20(30)28-24/h2-6,8,10-12,21-23H,7,9H2,1H3,(H,26,28,30)
InChIKeyHJYUNCUCFSUWLN-UHFFFAOYSA-N
MW424.46 g/mol
LogP4.29
Rot. Bonds3

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

5-[[1-(1-methylbenzimidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one (PubChem CID 71620740) has the molecular formula C25H20N4O3 and a molecular weight of 424.46 g/mol. Its IUPAC name is 5-[[1-(1-methylbenzimidazol-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-(1-methylbenzimidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
PubChem CID71620740
Molecular FormulaC25H20N4O3
Molecular Weight424.46 g/mol
Exact Mass424.15
IUPAC Name5-[[1-(1-methylbenzimidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
SMILESCn1c(C2C3Oc4ccc(Oc5ccnc6c5CCC(=O)N6)cc4C32)nc2ccccc21
InChIInChI=1S/C25H20N4O3/c1-29-17-5-3-2-4-16(17)27-25(29)22-21-15-12-13(6-8-18(15)32-23(21)22)31-19-10-11-26-24-14(19)7-9-20(30)28-24/h2-6,8,10-12,21-23H,7,9H2,1H3,(H,26,28,30)
InChIKeyHJYUNCUCFSUWLN-UHFFFAOYSA-N
XLogP4.29
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.46
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(1-methylbenzimidazol-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-(1-methylbenzimidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one (CID 71620740) is 5-[[1-(1-methylbenzimidazol-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-(1-methylbenzimidazol-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-(1-methylbenzimidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one is Cn1c(C2C3Oc4ccc(Oc5ccnc6c5CCC(=O)N6)cc4C32)nc2ccccc21.
What is the InChIKey of 5-[[1-(1-methylbenzimidazol-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 HJYUNCUCFSUWLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O3/c1-29-17-5-3-2-4-16(17)27-25(29)22-21-15-12-13(6-8-18(15)32-23(21)22)31-19-10-11-26-24-14(19)7-9-20(30)28-24/h2-6,8,10-12,21-23H,7,9H2,1H3,(H,26,28,30).
What are the key properties of 5-[[1-(1-methylbenzimidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
5-[[1-(1-methylbenzimidazol-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 424.46 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(1-methylbenzimidazol-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 71620740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).