4-phenyl-[1,2,4]triazolo[4,3-a]benzimidazole

C14H10N4 — CID 2773117

IUPAC4-phenyl-[1,2,4]triazolo[4,3-a]benzimidazole
SMILESc1ccc(-n2c3ccccc3n3cnnc23)cc1
InChIInChI=1S/C14H10N4/c1-2-6-11(7-3-1)18-13-9-5-4-8-12(13)17-10-15-16-14(17)18/h1-10H
InChIKeyPWISJQNPNAAKOW-UHFFFAOYSA-N
MW234.26 g/mol
LogP2.67
Rot. Bonds1

About 4-phenyl-[1,2,4]triazolo[4,3-a]benzimidazole

4-phenyl-[1,2,4]triazolo[4,3-a]benzimidazole (PubChem CID 2773117) has the molecular formula C14H10N4 and a molecular weight of 234.26 g/mol. Its IUPAC name is 4-phenyl-[1,2,4]triazolo[4,3-a]benzimidazole.

Molecular Properties

Compound Name4-phenyl-[1,2,4]triazolo[4,3-a]benzimidazole
PubChem CID2773117
Molecular FormulaC14H10N4
Molecular Weight234.26 g/mol
Exact Mass234.09
IUPAC Name4-phenyl-[1,2,4]triazolo[4,3-a]benzimidazole
SMILESc1ccc(-n2c3ccccc3n3cnnc23)cc1
InChIInChI=1S/C14H10N4/c1-2-6-11(7-3-1)18-13-9-5-4-8-12(13)17-10-15-16-14(17)18/h1-10H
InChIKeyPWISJQNPNAAKOW-UHFFFAOYSA-N
XLogP2.67
TPSA35.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-[1,2,4]triazolo[4,3-a]benzimidazole?
The IUPAC name of 4-phenyl-[1,2,4]triazolo[4,3-a]benzimidazole (CID 2773117) is 4-phenyl-[1,2,4]triazolo[4,3-a]benzimidazole.
What is the SMILES notation for 4-phenyl-[1,2,4]triazolo[4,3-a]benzimidazole?
The canonical SMILES for 4-phenyl-[1,2,4]triazolo[4,3-a]benzimidazole is c1ccc(-n2c3ccccc3n3cnnc23)cc1.
What is the InChIKey of 4-phenyl-[1,2,4]triazolo[4,3-a]benzimidazole?
The InChIKey is PWISJQNPNAAKOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4/c1-2-6-11(7-3-1)18-13-9-5-4-8-12(13)17-10-15-16-14(17)18/h1-10H.
What are the key properties of 4-phenyl-[1,2,4]triazolo[4,3-a]benzimidazole?
4-phenyl-[1,2,4]triazolo[4,3-a]benzimidazole has a molecular weight of 234.26 g/mol, XLogP of 2.67, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-[1,2,4]triazolo[4,3-a]benzimidazole is sourced from PubChem (CID 2773117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).