2-(5,6-dimethyl-1H-benzimidazol-2-yl)quinoxaline

C17H14N4 — CID 11507345

IUPAC2-(5,6-dimethyl-1H-benzimidazol-2-yl)quinoxaline
SMILESCc1cc2nc(-c3cnc4ccccc4n3)[nH]c2cc1C
InChIInChI=1S/C17H14N4/c1-10-7-14-15(8-11(10)2)21-17(20-14)16-9-18-12-5-3-4-6-13(12)19-16/h3-9H,1-2H3,(H,20,21)
InChIKeyCINPIEHCQFOLGK-UHFFFAOYSA-N
MW274.33 g/mol
LogP3.79
Rot. Bonds1

About 2-(5,6-dimethyl-1H-benzimidazol-2-yl)quinoxaline

2-(5,6-dimethyl-1H-benzimidazol-2-yl)quinoxaline (PubChem CID 11507345) has the molecular formula C17H14N4 and a molecular weight of 274.33 g/mol. Its IUPAC name is 2-(5,6-dimethyl-1H-benzimidazol-2-yl)quinoxaline.

Molecular Properties

Compound Name2-(5,6-dimethyl-1H-benzimidazol-2-yl)quinoxaline
PubChem CID11507345
Molecular FormulaC17H14N4
Molecular Weight274.33 g/mol
Exact Mass274.12
IUPAC Name2-(5,6-dimethyl-1H-benzimidazol-2-yl)quinoxaline
SMILESCc1cc2nc(-c3cnc4ccccc4n3)[nH]c2cc1C
InChIInChI=1S/C17H14N4/c1-10-7-14-15(8-11(10)2)21-17(20-14)16-9-18-12-5-3-4-6-13(12)19-16/h3-9H,1-2H3,(H,20,21)
InChIKeyCINPIEHCQFOLGK-UHFFFAOYSA-N
XLogP3.79
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethyl-1H-benzimidazol-2-yl)quinoxaline?
The IUPAC name of 2-(5,6-dimethyl-1H-benzimidazol-2-yl)quinoxaline (CID 11507345) is 2-(5,6-dimethyl-1H-benzimidazol-2-yl)quinoxaline.
What is the SMILES notation for 2-(5,6-dimethyl-1H-benzimidazol-2-yl)quinoxaline?
The canonical SMILES for 2-(5,6-dimethyl-1H-benzimidazol-2-yl)quinoxaline is Cc1cc2nc(-c3cnc4ccccc4n3)[nH]c2cc1C.
What is the InChIKey of 2-(5,6-dimethyl-1H-benzimidazol-2-yl)quinoxaline?
The InChIKey is CINPIEHCQFOLGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4/c1-10-7-14-15(8-11(10)2)21-17(20-14)16-9-18-12-5-3-4-6-13(12)19-16/h3-9H,1-2H3,(H,20,21).
What are the key properties of 2-(5,6-dimethyl-1H-benzimidazol-2-yl)quinoxaline?
2-(5,6-dimethyl-1H-benzimidazol-2-yl)quinoxaline has a molecular weight of 274.33 g/mol, XLogP of 3.79, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dimethyl-1H-benzimidazol-2-yl)quinoxaline is sourced from PubChem (CID 11507345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).