3,10-diphenyl-[1,2,4]triazino[4,3-a]benzimidazol-4-one

C21H14N4O — CID 10449783

IUPAC3,10-diphenyl-[1,2,4]triazino[4,3-a]benzimidazol-4-one
SMILESO=c1c(-c2ccccc2)nnc2n(-c3ccccc3)c3ccccc3n12
InChIInChI=1S/C21H14N4O/c26-20-19(15-9-3-1-4-10-15)22-23-21-24(16-11-5-2-6-12-16)17-13-7-8-14-18(17)25(20)21/h1-14H
InChIKeyBFVHCJSDSWWYEY-UHFFFAOYSA-N
MW338.37 g/mol
LogP3.70
Rot. Bonds2

About 3,10-diphenyl-[1,2,4]triazino[4,3-a]benzimidazol-4-one

3,10-diphenyl-[1,2,4]triazino[4,3-a]benzimidazol-4-one (PubChem CID 10449783) has the molecular formula C21H14N4O and a molecular weight of 338.37 g/mol. Its IUPAC name is 3,10-diphenyl-[1,2,4]triazino[4,3-a]benzimidazol-4-one.

Molecular Properties

Compound Name3,10-diphenyl-[1,2,4]triazino[4,3-a]benzimidazol-4-one
PubChem CID10449783
Molecular FormulaC21H14N4O
Molecular Weight338.37 g/mol
Exact Mass338.12
IUPAC Name3,10-diphenyl-[1,2,4]triazino[4,3-a]benzimidazol-4-one
SMILESO=c1c(-c2ccccc2)nnc2n(-c3ccccc3)c3ccccc3n12
InChIInChI=1S/C21H14N4O/c26-20-19(15-9-3-1-4-10-15)22-23-21-24(16-11-5-2-6-12-16)17-13-7-8-14-18(17)25(20)21/h1-14H
InChIKeyBFVHCJSDSWWYEY-UHFFFAOYSA-N
XLogP3.70
TPSA52.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,10-diphenyl-[1,2,4]triazino[4,3-a]benzimidazol-4-one?
The IUPAC name of 3,10-diphenyl-[1,2,4]triazino[4,3-a]benzimidazol-4-one (CID 10449783) is 3,10-diphenyl-[1,2,4]triazino[4,3-a]benzimidazol-4-one.
What is the SMILES notation for 3,10-diphenyl-[1,2,4]triazino[4,3-a]benzimidazol-4-one?
The canonical SMILES for 3,10-diphenyl-[1,2,4]triazino[4,3-a]benzimidazol-4-one is O=c1c(-c2ccccc2)nnc2n(-c3ccccc3)c3ccccc3n12.
What is the InChIKey of 3,10-diphenyl-[1,2,4]triazino[4,3-a]benzimidazol-4-one?
The InChIKey is BFVHCJSDSWWYEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N4O/c26-20-19(15-9-3-1-4-10-15)22-23-21-24(16-11-5-2-6-12-16)17-13-7-8-14-18(17)25(20)21/h1-14H.
What are the key properties of 3,10-diphenyl-[1,2,4]triazino[4,3-a]benzimidazol-4-one?
3,10-diphenyl-[1,2,4]triazino[4,3-a]benzimidazol-4-one has a molecular weight of 338.37 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,10-diphenyl-[1,2,4]triazino[4,3-a]benzimidazol-4-one is sourced from PubChem (CID 10449783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).