2-[2-(5-phenyl-1H-imidazol-2-yl)ethyl]quinoxaline

C19H16N4 — CID 54755130

IUPAC2-[2-(5-phenyl-1H-imidazol-2-yl)ethyl]quinoxaline
SMILESc1ccc(-c2cnc(CCc3cnc4ccccc4n3)[nH]2)cc1
InChIInChI=1S/C19H16N4/c1-2-6-14(7-3-1)18-13-21-19(23-18)11-10-15-12-20-16-8-4-5-9-17(16)22-15/h1-9,12-13H,10-11H2,(H,21,23)
InChIKeyHMXBVTKCTWFFHC-UHFFFAOYSA-N
MW300.37 g/mol
LogP3.81
Rot. Bonds4

About 2-[2-(5-phenyl-1H-imidazol-2-yl)ethyl]quinoxaline

2-[2-(5-phenyl-1H-imidazol-2-yl)ethyl]quinoxaline (PubChem CID 54755130) has the molecular formula C19H16N4 and a molecular weight of 300.37 g/mol. Its IUPAC name is 2-[2-(5-phenyl-1H-imidazol-2-yl)ethyl]quinoxaline.

Molecular Properties

Compound Name2-[2-(5-phenyl-1H-imidazol-2-yl)ethyl]quinoxaline
PubChem CID54755130
Molecular FormulaC19H16N4
Molecular Weight300.37 g/mol
Exact Mass300.14
IUPAC Name2-[2-(5-phenyl-1H-imidazol-2-yl)ethyl]quinoxaline
SMILESc1ccc(-c2cnc(CCc3cnc4ccccc4n3)[nH]2)cc1
InChIInChI=1S/C19H16N4/c1-2-6-14(7-3-1)18-13-21-19(23-18)11-10-15-12-20-16-8-4-5-9-17(16)22-15/h1-9,12-13H,10-11H2,(H,21,23)
InChIKeyHMXBVTKCTWFFHC-UHFFFAOYSA-N
XLogP3.81
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-phenyl-1H-imidazol-2-yl)ethyl]quinoxaline?
The IUPAC name of 2-[2-(5-phenyl-1H-imidazol-2-yl)ethyl]quinoxaline (CID 54755130) is 2-[2-(5-phenyl-1H-imidazol-2-yl)ethyl]quinoxaline.
What is the SMILES notation for 2-[2-(5-phenyl-1H-imidazol-2-yl)ethyl]quinoxaline?
The canonical SMILES for 2-[2-(5-phenyl-1H-imidazol-2-yl)ethyl]quinoxaline is c1ccc(-c2cnc(CCc3cnc4ccccc4n3)[nH]2)cc1.
What is the InChIKey of 2-[2-(5-phenyl-1H-imidazol-2-yl)ethyl]quinoxaline?
The InChIKey is HMXBVTKCTWFFHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4/c1-2-6-14(7-3-1)18-13-21-19(23-18)11-10-15-12-20-16-8-4-5-9-17(16)22-15/h1-9,12-13H,10-11H2,(H,21,23).
What are the key properties of 2-[2-(5-phenyl-1H-imidazol-2-yl)ethyl]quinoxaline?
2-[2-(5-phenyl-1H-imidazol-2-yl)ethyl]quinoxaline has a molecular weight of 300.37 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-phenyl-1H-imidazol-2-yl)ethyl]quinoxaline is sourced from PubChem (CID 54755130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).