5-[[3-(1H-benzimidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one

C24H20N4O3 — CID 118948488

IUPAC5-[[3-(1H-benzimidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
SMILESO=C1CCc2c(Oc3ccc4c(c3)CC(c3nc5ccccc5[nH]3)CO4)ccnc2N1
InChIInChI=1S/C24H20N4O3/c29-22-8-6-17-21(9-10-25-24(17)28-22)31-16-5-7-20-14(12-16)11-15(13-30-20)23-26-18-3-1-2-4-19(18)27-23/h1-5,7,9-10,12,15H,6,8,11,13H2,(H,26,27)(H,25,28,29)
InChIKeyIBIUXLREEDJYHV-UHFFFAOYSA-N
MW412.45 g/mol
LogP4.35
Rot. Bonds3

About 5-[[3-(1H-benzimidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one

5-[[3-(1H-benzimidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one (PubChem CID 118948488) has the molecular formula C24H20N4O3 and a molecular weight of 412.45 g/mol. Its IUPAC name is 5-[[3-(1H-benzimidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name5-[[3-(1H-benzimidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
PubChem CID118948488
Molecular FormulaC24H20N4O3
Molecular Weight412.45 g/mol
Exact Mass412.15
IUPAC Name5-[[3-(1H-benzimidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
SMILESO=C1CCc2c(Oc3ccc4c(c3)CC(c3nc5ccccc5[nH]3)CO4)ccnc2N1
InChIInChI=1S/C24H20N4O3/c29-22-8-6-17-21(9-10-25-24(17)28-22)31-16-5-7-20-14(12-16)11-15(13-30-20)23-26-18-3-1-2-4-19(18)27-23/h1-5,7,9-10,12,15H,6,8,11,13H2,(H,26,27)(H,25,28,29)
InChIKeyIBIUXLREEDJYHV-UHFFFAOYSA-N
XLogP4.35
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[3-(1H-benzimidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The IUPAC name of 5-[[3-(1H-benzimidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one (CID 118948488) is 5-[[3-(1H-benzimidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one.
What is the SMILES notation for 5-[[3-(1H-benzimidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The canonical SMILES for 5-[[3-(1H-benzimidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one is O=C1CCc2c(Oc3ccc4c(c3)CC(c3nc5ccccc5[nH]3)CO4)ccnc2N1.
What is the InChIKey of 5-[[3-(1H-benzimidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The InChIKey is IBIUXLREEDJYHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O3/c29-22-8-6-17-21(9-10-25-24(17)28-22)31-16-5-7-20-14(12-16)11-15(13-30-20)23-26-18-3-1-2-4-19(18)27-23/h1-5,7,9-10,12,15H,6,8,11,13H2,(H,26,27)(H,25,28,29).
What are the key properties of 5-[[3-(1H-benzimidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
5-[[3-(1H-benzimidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one has a molecular weight of 412.45 g/mol, XLogP of 4.35, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(1H-benzimidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one is sourced from PubChem (CID 118948488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).