3-(1H-benzimidazol-2-yl)-4-hydroxy-1H-1,7-naphthyridin-2-one

C15H10N4O2 — CID 135410286

IUPAC3-(1H-benzimidazol-2-yl)-4-hydroxy-1H-1,7-naphthyridin-2-one
SMILESO=c1[nH]c2cnccc2c(O)c1-c1nc2ccccc2[nH]1
InChIInChI=1S/C15H10N4O2/c20-13-8-5-6-16-7-11(8)19-15(21)12(13)14-17-9-3-1-2-4-10(9)18-14/h1-7H,(H,17,18)(H2,19,20,21)
InChIKeyARRAFPHWAWKGMF-UHFFFAOYSA-N
MW278.27 g/mol
LogP2.17
Rot. Bonds1

About 3-(1H-benzimidazol-2-yl)-4-hydroxy-1H-1,7-naphthyridin-2-one

3-(1H-benzimidazol-2-yl)-4-hydroxy-1H-1,7-naphthyridin-2-one (PubChem CID 135410286) has the molecular formula C15H10N4O2 and a molecular weight of 278.27 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-yl)-4-hydroxy-1H-1,7-naphthyridin-2-one.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-yl)-4-hydroxy-1H-1,7-naphthyridin-2-one
PubChem CID135410286
Molecular FormulaC15H10N4O2
Molecular Weight278.27 g/mol
Exact Mass278.08
IUPAC Name3-(1H-benzimidazol-2-yl)-4-hydroxy-1H-1,7-naphthyridin-2-one
SMILESO=c1[nH]c2cnccc2c(O)c1-c1nc2ccccc2[nH]1
InChIInChI=1S/C15H10N4O2/c20-13-8-5-6-16-7-11(8)19-15(21)12(13)14-17-9-3-1-2-4-10(9)18-14/h1-7H,(H,17,18)(H2,19,20,21)
InChIKeyARRAFPHWAWKGMF-UHFFFAOYSA-N
XLogP2.17
TPSA94.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-yl)-4-hydroxy-1H-1,7-naphthyridin-2-one?
The IUPAC name of 3-(1H-benzimidazol-2-yl)-4-hydroxy-1H-1,7-naphthyridin-2-one (CID 135410286) is 3-(1H-benzimidazol-2-yl)-4-hydroxy-1H-1,7-naphthyridin-2-one.
What is the SMILES notation for 3-(1H-benzimidazol-2-yl)-4-hydroxy-1H-1,7-naphthyridin-2-one?
The canonical SMILES for 3-(1H-benzimidazol-2-yl)-4-hydroxy-1H-1,7-naphthyridin-2-one is O=c1[nH]c2cnccc2c(O)c1-c1nc2ccccc2[nH]1.
What is the InChIKey of 3-(1H-benzimidazol-2-yl)-4-hydroxy-1H-1,7-naphthyridin-2-one?
The InChIKey is ARRAFPHWAWKGMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N4O2/c20-13-8-5-6-16-7-11(8)19-15(21)12(13)14-17-9-3-1-2-4-10(9)18-14/h1-7H,(H,17,18)(H2,19,20,21).
What are the key properties of 3-(1H-benzimidazol-2-yl)-4-hydroxy-1H-1,7-naphthyridin-2-one?
3-(1H-benzimidazol-2-yl)-4-hydroxy-1H-1,7-naphthyridin-2-one has a molecular weight of 278.27 g/mol, XLogP of 2.17, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-benzimidazol-2-yl)-4-hydroxy-1H-1,7-naphthyridin-2-one is sourced from PubChem (CID 135410286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).