10-benzyl-3-(furan-2-yl)-[1,2,4]triazino[4,3-a]benzimidazol-4-one

C20H14N4O2 — CID 10641040

IUPAC10-benzyl-3-(furan-2-yl)-[1,2,4]triazino[4,3-a]benzimidazol-4-one
SMILESO=c1c(-c2ccco2)nnc2n(Cc3ccccc3)c3ccccc3n12
InChIInChI=1S/C20H14N4O2/c25-19-18(17-11-6-12-26-17)21-22-20-23(13-14-7-2-1-3-8-14)15-9-4-5-10-16(15)24(19)20/h1-12H,13H2
InChIKeyLAKWSLSTUWRCOM-UHFFFAOYSA-N
MW342.36 g/mol
LogP3.35
Rot. Bonds3

About 10-benzyl-3-(furan-2-yl)-[1,2,4]triazino[4,3-a]benzimidazol-4-one

10-benzyl-3-(furan-2-yl)-[1,2,4]triazino[4,3-a]benzimidazol-4-one (PubChem CID 10641040) has the molecular formula C20H14N4O2 and a molecular weight of 342.36 g/mol. Its IUPAC name is 10-benzyl-3-(furan-2-yl)-[1,2,4]triazino[4,3-a]benzimidazol-4-one.

Molecular Properties

Compound Name10-benzyl-3-(furan-2-yl)-[1,2,4]triazino[4,3-a]benzimidazol-4-one
PubChem CID10641040
Molecular FormulaC20H14N4O2
Molecular Weight342.36 g/mol
Exact Mass342.11
IUPAC Name10-benzyl-3-(furan-2-yl)-[1,2,4]triazino[4,3-a]benzimidazol-4-one
SMILESO=c1c(-c2ccco2)nnc2n(Cc3ccccc3)c3ccccc3n12
InChIInChI=1S/C20H14N4O2/c25-19-18(17-11-6-12-26-17)21-22-20-23(13-14-7-2-1-3-8-14)15-9-4-5-10-16(15)24(19)20/h1-12H,13H2
InChIKeyLAKWSLSTUWRCOM-UHFFFAOYSA-N
XLogP3.35
TPSA65.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 10-benzyl-3-(furan-2-yl)-[1,2,4]triazino[4,3-a]benzimidazol-4-one?
The IUPAC name of 10-benzyl-3-(furan-2-yl)-[1,2,4]triazino[4,3-a]benzimidazol-4-one (CID 10641040) is 10-benzyl-3-(furan-2-yl)-[1,2,4]triazino[4,3-a]benzimidazol-4-one.
What is the SMILES notation for 10-benzyl-3-(furan-2-yl)-[1,2,4]triazino[4,3-a]benzimidazol-4-one?
The canonical SMILES for 10-benzyl-3-(furan-2-yl)-[1,2,4]triazino[4,3-a]benzimidazol-4-one is O=c1c(-c2ccco2)nnc2n(Cc3ccccc3)c3ccccc3n12.
What is the InChIKey of 10-benzyl-3-(furan-2-yl)-[1,2,4]triazino[4,3-a]benzimidazol-4-one?
The InChIKey is LAKWSLSTUWRCOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N4O2/c25-19-18(17-11-6-12-26-17)21-22-20-23(13-14-7-2-1-3-8-14)15-9-4-5-10-16(15)24(19)20/h1-12H,13H2.
What are the key properties of 10-benzyl-3-(furan-2-yl)-[1,2,4]triazino[4,3-a]benzimidazol-4-one?
10-benzyl-3-(furan-2-yl)-[1,2,4]triazino[4,3-a]benzimidazol-4-one has a molecular weight of 342.36 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-benzyl-3-(furan-2-yl)-[1,2,4]triazino[4,3-a]benzimidazol-4-one is sourced from PubChem (CID 10641040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).