2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]quinoxaline

C20H18N4 — CID 54755363

IUPAC2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]quinoxaline
SMILESCn1cc(-c2ccccc2)nc1CCc1cnc2ccccc2n1
InChIInChI=1S/C20H18N4/c1-24-14-19(15-7-3-2-4-8-15)23-20(24)12-11-16-13-21-17-9-5-6-10-18(17)22-16/h2-10,13-14H,11-12H2,1H3
InChIKeyPOYATVYDWRIRCE-UHFFFAOYSA-N
MW314.39 g/mol
LogP3.82
Rot. Bonds4

About 2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]quinoxaline

2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]quinoxaline (PubChem CID 54755363) has the molecular formula C20H18N4 and a molecular weight of 314.39 g/mol. Its IUPAC name is 2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]quinoxaline.

Molecular Properties

Compound Name2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]quinoxaline
PubChem CID54755363
Molecular FormulaC20H18N4
Molecular Weight314.39 g/mol
Exact Mass314.15
IUPAC Name2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]quinoxaline
SMILESCn1cc(-c2ccccc2)nc1CCc1cnc2ccccc2n1
InChIInChI=1S/C20H18N4/c1-24-14-19(15-7-3-2-4-8-15)23-20(24)12-11-16-13-21-17-9-5-6-10-18(17)22-16/h2-10,13-14H,11-12H2,1H3
InChIKeyPOYATVYDWRIRCE-UHFFFAOYSA-N
XLogP3.82
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]quinoxaline?
The IUPAC name of 2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]quinoxaline (CID 54755363) is 2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]quinoxaline.
What is the SMILES notation for 2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]quinoxaline?
The canonical SMILES for 2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]quinoxaline is Cn1cc(-c2ccccc2)nc1CCc1cnc2ccccc2n1.
What is the InChIKey of 2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]quinoxaline?
The InChIKey is POYATVYDWRIRCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4/c1-24-14-19(15-7-3-2-4-8-15)23-20(24)12-11-16-13-21-17-9-5-6-10-18(17)22-16/h2-10,13-14H,11-12H2,1H3.
What are the key properties of 2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]quinoxaline?
2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]quinoxaline has a molecular weight of 314.39 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]quinoxaline is sourced from PubChem (CID 54755363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).