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

C26H21ClN4O3 — CID 126517319

IUPAC5-[[2-[5-(2-chlorophenyl)-1H-imidazol-2-yl]-3-methyl-2,3-dihydro-1-benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
SMILESCC1c2cc(Oc3ccnc4c3CCC(=O)N4)ccc2OC1c1ncc(-c2ccccc2Cl)[nH]1
InChIInChI=1S/C26H21ClN4O3/c1-14-18-12-15(33-22-10-11-28-25-17(22)7-9-23(32)31-25)6-8-21(18)34-24(14)26-29-13-20(30-26)16-4-2-3-5-19(16)27/h2-6,8,10-14,24H,7,9H2,1H3,(H,29,30)(H,28,31,32)
InChIKeyQEAZGASGSFDIPZ-UHFFFAOYSA-N
MW472.93 g/mol
LogP6.04
Rot. Bonds4

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

5-[[2-[5-(2-chlorophenyl)-1H-imidazol-2-yl]-3-methyl-2,3-dihydro-1-benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one (PubChem CID 126517319) has the molecular formula C26H21ClN4O3 and a molecular weight of 472.93 g/mol. Its IUPAC name is 5-[[2-[5-(2-chlorophenyl)-1H-imidazol-2-yl]-3-methyl-2,3-dihydro-1-benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name5-[[2-[5-(2-chlorophenyl)-1H-imidazol-2-yl]-3-methyl-2,3-dihydro-1-benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
PubChem CID126517319
Molecular FormulaC26H21ClN4O3
Molecular Weight472.93 g/mol
Exact Mass472.13
IUPAC Name5-[[2-[5-(2-chlorophenyl)-1H-imidazol-2-yl]-3-methyl-2,3-dihydro-1-benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
SMILESCC1c2cc(Oc3ccnc4c3CCC(=O)N4)ccc2OC1c1ncc(-c2ccccc2Cl)[nH]1
InChIInChI=1S/C26H21ClN4O3/c1-14-18-12-15(33-22-10-11-28-25-17(22)7-9-23(32)31-25)6-8-21(18)34-24(14)26-29-13-20(30-26)16-4-2-3-5-19(16)27/h2-6,8,10-14,24H,7,9H2,1H3,(H,29,30)(H,28,31,32)
InChIKeyQEAZGASGSFDIPZ-UHFFFAOYSA-N
XLogP6.04
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.93
LogP ≤ 56.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[[2-[5-(2-chlorophenyl)-1H-imidazol-2-yl]-3-methyl-2,3-dihydro-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-[[2-[5-(2-chlorophenyl)-1H-imidazol-2-yl]-3-methyl-2,3-dihydro-1-benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The IUPAC name of 5-[[2-[5-(2-chlorophenyl)-1H-imidazol-2-yl]-3-methyl-2,3-dihydro-1-benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one (CID 126517319) is 5-[[2-[5-(2-chlorophenyl)-1H-imidazol-2-yl]-3-methyl-2,3-dihydro-1-benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one.
What is the SMILES notation for 5-[[2-[5-(2-chlorophenyl)-1H-imidazol-2-yl]-3-methyl-2,3-dihydro-1-benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The canonical SMILES for 5-[[2-[5-(2-chlorophenyl)-1H-imidazol-2-yl]-3-methyl-2,3-dihydro-1-benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one is CC1c2cc(Oc3ccnc4c3CCC(=O)N4)ccc2OC1c1ncc(-c2ccccc2Cl)[nH]1.
What is the InChIKey of 5-[[2-[5-(2-chlorophenyl)-1H-imidazol-2-yl]-3-methyl-2,3-dihydro-1-benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The InChIKey is QEAZGASGSFDIPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21ClN4O3/c1-14-18-12-15(33-22-10-11-28-25-17(22)7-9-23(32)31-25)6-8-21(18)34-24(14)26-29-13-20(30-26)16-4-2-3-5-19(16)27/h2-6,8,10-14,24H,7,9H2,1H3,(H,29,30)(H,28,31,32).
What are the key properties of 5-[[2-[5-(2-chlorophenyl)-1H-imidazol-2-yl]-3-methyl-2,3-dihydro-1-benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
5-[[2-[5-(2-chlorophenyl)-1H-imidazol-2-yl]-3-methyl-2,3-dihydro-1-benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one has a molecular weight of 472.93 g/mol, XLogP of 6.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-[5-(2-chlorophenyl)-1H-imidazol-2-yl]-3-methyl-2,3-dihydro-1-benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one is sourced from PubChem (CID 126517319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).