6-(3H-benzimidazol-5-yl)-7-(furan-2-yl)-2-phenyl-1H-1,8-naphthyridin-4-one

C25H16N4O2 — CID 137438237

IUPAC6-(3H-benzimidazol-5-yl)-7-(furan-2-yl)-2-phenyl-1H-1,8-naphthyridin-4-one
SMILESO=c1cc(-c2ccccc2)[nH]c2nc(-c3ccco3)c(-c3ccc4nc[nH]c4c3)cc12
InChIInChI=1S/C25H16N4O2/c30-22-13-20(15-5-2-1-3-6-15)28-25-18(22)12-17(24(29-25)23-7-4-10-31-23)16-8-9-19-21(11-16)27-14-26-19/h1-14H,(H,26,27)(H,28,29,30)
InChIKeyCFNIVRPAFPBBOZ-UHFFFAOYSA-N
MW404.43 g/mol
LogP5.39
Rot. Bonds3

About 6-(3H-benzimidazol-5-yl)-7-(furan-2-yl)-2-phenyl-1H-1,8-naphthyridin-4-one

6-(3H-benzimidazol-5-yl)-7-(furan-2-yl)-2-phenyl-1H-1,8-naphthyridin-4-one (PubChem CID 137438237) has the molecular formula C25H16N4O2 and a molecular weight of 404.43 g/mol. Its IUPAC name is 6-(3H-benzimidazol-5-yl)-7-(furan-2-yl)-2-phenyl-1H-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name6-(3H-benzimidazol-5-yl)-7-(furan-2-yl)-2-phenyl-1H-1,8-naphthyridin-4-one
PubChem CID137438237
Molecular FormulaC25H16N4O2
Molecular Weight404.43 g/mol
Exact Mass404.13
IUPAC Name6-(3H-benzimidazol-5-yl)-7-(furan-2-yl)-2-phenyl-1H-1,8-naphthyridin-4-one
SMILESO=c1cc(-c2ccccc2)[nH]c2nc(-c3ccco3)c(-c3ccc4nc[nH]c4c3)cc12
InChIInChI=1S/C25H16N4O2/c30-22-13-20(15-5-2-1-3-6-15)28-25-18(22)12-17(24(29-25)23-7-4-10-31-23)16-8-9-19-21(11-16)27-14-26-19/h1-14H,(H,26,27)(H,28,29,30)
InChIKeyCFNIVRPAFPBBOZ-UHFFFAOYSA-N
XLogP5.39
TPSA87.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.43
LogP ≤ 55.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-(3H-benzimidazol-5-yl)-7-(furan-2-yl)-2-phenyl-1H-1,8-naphthyridin-4-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 6-(3H-benzimidazol-5-yl)-7-(furan-2-yl)-2-phenyl-1H-1,8-naphthyridin-4-one?
The IUPAC name of 6-(3H-benzimidazol-5-yl)-7-(furan-2-yl)-2-phenyl-1H-1,8-naphthyridin-4-one (CID 137438237) is 6-(3H-benzimidazol-5-yl)-7-(furan-2-yl)-2-phenyl-1H-1,8-naphthyridin-4-one.
What is the SMILES notation for 6-(3H-benzimidazol-5-yl)-7-(furan-2-yl)-2-phenyl-1H-1,8-naphthyridin-4-one?
The canonical SMILES for 6-(3H-benzimidazol-5-yl)-7-(furan-2-yl)-2-phenyl-1H-1,8-naphthyridin-4-one is O=c1cc(-c2ccccc2)[nH]c2nc(-c3ccco3)c(-c3ccc4nc[nH]c4c3)cc12.
What is the InChIKey of 6-(3H-benzimidazol-5-yl)-7-(furan-2-yl)-2-phenyl-1H-1,8-naphthyridin-4-one?
The InChIKey is CFNIVRPAFPBBOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16N4O2/c30-22-13-20(15-5-2-1-3-6-15)28-25-18(22)12-17(24(29-25)23-7-4-10-31-23)16-8-9-19-21(11-16)27-14-26-19/h1-14H,(H,26,27)(H,28,29,30).
What are the key properties of 6-(3H-benzimidazol-5-yl)-7-(furan-2-yl)-2-phenyl-1H-1,8-naphthyridin-4-one?
6-(3H-benzimidazol-5-yl)-7-(furan-2-yl)-2-phenyl-1H-1,8-naphthyridin-4-one has a molecular weight of 404.43 g/mol, XLogP of 5.39, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3H-benzimidazol-5-yl)-7-(furan-2-yl)-2-phenyl-1H-1,8-naphthyridin-4-one is sourced from PubChem (CID 137438237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).