5-[[3-methyl-2-(5-phenyl-1H-imidazol-2-yl)-2,3-dihydro-1-benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one

C26H22N4O3 — CID 135245050

IUPAC5-[[3-methyl-2-(5-phenyl-1H-imidazol-2-yl)-2,3-dihydro-1-benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
SMILESCC1c2cc(Oc3ccnc4c3CCC(=O)N4)ccc2OC1c1ncc(-c2ccccc2)[nH]1
InChIInChI=1S/C26H22N4O3/c1-15-19-13-17(32-22-11-12-27-25-18(22)8-10-23(31)30-25)7-9-21(19)33-24(15)26-28-14-20(29-26)16-5-3-2-4-6-16/h2-7,9,11-15,24H,8,10H2,1H3,(H,28,29)(H,27,30,31)
InChIKeyUREBFTMISMCLNF-UHFFFAOYSA-N
MW438.49 g/mol
LogP5.39
Rot. Bonds4

About 5-[[3-methyl-2-(5-phenyl-1H-imidazol-2-yl)-2,3-dihydro-1-benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one

5-[[3-methyl-2-(5-phenyl-1H-imidazol-2-yl)-2,3-dihydro-1-benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one (PubChem CID 135245050) has the molecular formula C26H22N4O3 and a molecular weight of 438.49 g/mol. Its IUPAC name is 5-[[3-methyl-2-(5-phenyl-1H-imidazol-2-yl)-2,3-dihydro-1-benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name5-[[3-methyl-2-(5-phenyl-1H-imidazol-2-yl)-2,3-dihydro-1-benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
PubChem CID135245050
Molecular FormulaC26H22N4O3
Molecular Weight438.49 g/mol
Exact Mass438.17
IUPAC Name5-[[3-methyl-2-(5-phenyl-1H-imidazol-2-yl)-2,3-dihydro-1-benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
SMILESCC1c2cc(Oc3ccnc4c3CCC(=O)N4)ccc2OC1c1ncc(-c2ccccc2)[nH]1
InChIInChI=1S/C26H22N4O3/c1-15-19-13-17(32-22-11-12-27-25-18(22)8-10-23(31)30-25)7-9-21(19)33-24(15)26-28-14-20(29-26)16-5-3-2-4-6-16/h2-7,9,11-15,24H,8,10H2,1H3,(H,28,29)(H,27,30,31)
InChIKeyUREBFTMISMCLNF-UHFFFAOYSA-N
XLogP5.39
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.49
LogP ≤ 55.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[3-methyl-2-(5-phenyl-1H-imidazol-2-yl)-2,3-dihydro-1-benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The IUPAC name of 5-[[3-methyl-2-(5-phenyl-1H-imidazol-2-yl)-2,3-dihydro-1-benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one (CID 135245050) is 5-[[3-methyl-2-(5-phenyl-1H-imidazol-2-yl)-2,3-dihydro-1-benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one.
What is the SMILES notation for 5-[[3-methyl-2-(5-phenyl-1H-imidazol-2-yl)-2,3-dihydro-1-benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The canonical SMILES for 5-[[3-methyl-2-(5-phenyl-1H-imidazol-2-yl)-2,3-dihydro-1-benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one is CC1c2cc(Oc3ccnc4c3CCC(=O)N4)ccc2OC1c1ncc(-c2ccccc2)[nH]1.
What is the InChIKey of 5-[[3-methyl-2-(5-phenyl-1H-imidazol-2-yl)-2,3-dihydro-1-benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The InChIKey is UREBFTMISMCLNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4O3/c1-15-19-13-17(32-22-11-12-27-25-18(22)8-10-23(31)30-25)7-9-21(19)33-24(15)26-28-14-20(29-26)16-5-3-2-4-6-16/h2-7,9,11-15,24H,8,10H2,1H3,(H,28,29)(H,27,30,31).
What are the key properties of 5-[[3-methyl-2-(5-phenyl-1H-imidazol-2-yl)-2,3-dihydro-1-benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
5-[[3-methyl-2-(5-phenyl-1H-imidazol-2-yl)-2,3-dihydro-1-benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one has a molecular weight of 438.49 g/mol, XLogP of 5.39, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-methyl-2-(5-phenyl-1H-imidazol-2-yl)-2,3-dihydro-1-benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one is sourced from PubChem (CID 135245050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).