5,7-dimethyl-2-(2-phenyl-3H-benzimidazol-5-yl)-[1,2,4]triazolo[1,5-a]pyrimidine

C20H16N6 — CID 118534656

IUPAC5,7-dimethyl-2-(2-phenyl-3H-benzimidazol-5-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(C)n2nc(-c3ccc4nc(-c5ccccc5)[nH]c4c3)nc2n1
InChIInChI=1S/C20H16N6/c1-12-10-13(2)26-20(21-12)24-19(25-26)15-8-9-16-17(11-15)23-18(22-16)14-6-4-3-5-7-14/h3-11H,1-2H3,(H,22,23)
InChIKeyFUBMEBBLWOMCRA-UHFFFAOYSA-N
MW340.39 g/mol
LogP3.95
Rot. Bonds2

About 5,7-dimethyl-2-(2-phenyl-3H-benzimidazol-5-yl)-[1,2,4]triazolo[1,5-a]pyrimidine

5,7-dimethyl-2-(2-phenyl-3H-benzimidazol-5-yl)-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 118534656) has the molecular formula C20H16N6 and a molecular weight of 340.39 g/mol. Its IUPAC name is 5,7-dimethyl-2-(2-phenyl-3H-benzimidazol-5-yl)-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5,7-dimethyl-2-(2-phenyl-3H-benzimidazol-5-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID118534656
Molecular FormulaC20H16N6
Molecular Weight340.39 g/mol
Exact Mass340.14
IUPAC Name5,7-dimethyl-2-(2-phenyl-3H-benzimidazol-5-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(C)n2nc(-c3ccc4nc(-c5ccccc5)[nH]c4c3)nc2n1
InChIInChI=1S/C20H16N6/c1-12-10-13(2)26-20(21-12)24-19(25-26)15-8-9-16-17(11-15)23-18(22-16)14-6-4-3-5-7-14/h3-11H,1-2H3,(H,22,23)
InChIKeyFUBMEBBLWOMCRA-UHFFFAOYSA-N
XLogP3.95
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-2-(2-phenyl-3H-benzimidazol-5-yl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 5,7-dimethyl-2-(2-phenyl-3H-benzimidazol-5-yl)-[1,2,4]triazolo[1,5-a]pyrimidine (CID 118534656) is 5,7-dimethyl-2-(2-phenyl-3H-benzimidazol-5-yl)-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5,7-dimethyl-2-(2-phenyl-3H-benzimidazol-5-yl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 5,7-dimethyl-2-(2-phenyl-3H-benzimidazol-5-yl)-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1cc(C)n2nc(-c3ccc4nc(-c5ccccc5)[nH]c4c3)nc2n1.
What is the InChIKey of 5,7-dimethyl-2-(2-phenyl-3H-benzimidazol-5-yl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is FUBMEBBLWOMCRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N6/c1-12-10-13(2)26-20(21-12)24-19(25-26)15-8-9-16-17(11-15)23-18(22-16)14-6-4-3-5-7-14/h3-11H,1-2H3,(H,22,23).
What are the key properties of 5,7-dimethyl-2-(2-phenyl-3H-benzimidazol-5-yl)-[1,2,4]triazolo[1,5-a]pyrimidine?
5,7-dimethyl-2-(2-phenyl-3H-benzimidazol-5-yl)-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 340.39 g/mol, XLogP of 3.95, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-2-(2-phenyl-3H-benzimidazol-5-yl)-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 118534656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).