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

C18H14N4S — CID 70096506

IUPAC2-[(5-phenyl-1H-imidazol-2-yl)sulfanylmethyl]quinoxaline
SMILESc1ccc(-c2cnc(SCc3cnc4ccccc4n3)[nH]2)cc1
InChIInChI=1S/C18H14N4S/c1-2-6-13(7-3-1)17-11-20-18(22-17)23-12-14-10-19-15-8-4-5-9-16(15)21-14/h1-11H,12H2,(H,20,22)
InChIKeyUHBPVHXLFVYAAY-UHFFFAOYSA-N
MW318.41 g/mol
LogP4.31
Rot. Bonds4

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

2-[(5-phenyl-1H-imidazol-2-yl)sulfanylmethyl]quinoxaline (PubChem CID 70096506) has the molecular formula C18H14N4S and a molecular weight of 318.41 g/mol. Its IUPAC name is 2-[(5-phenyl-1H-imidazol-2-yl)sulfanylmethyl]quinoxaline.

Molecular Properties

Compound Name2-[(5-phenyl-1H-imidazol-2-yl)sulfanylmethyl]quinoxaline
PubChem CID70096506
Molecular FormulaC18H14N4S
Molecular Weight318.41 g/mol
Exact Mass318.09
IUPAC Name2-[(5-phenyl-1H-imidazol-2-yl)sulfanylmethyl]quinoxaline
SMILESc1ccc(-c2cnc(SCc3cnc4ccccc4n3)[nH]2)cc1
InChIInChI=1S/C18H14N4S/c1-2-6-13(7-3-1)17-11-20-18(22-17)23-12-14-10-19-15-8-4-5-9-16(15)21-14/h1-11H,12H2,(H,20,22)
InChIKeyUHBPVHXLFVYAAY-UHFFFAOYSA-N
XLogP4.31
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.41
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-phenyl-1H-imidazol-2-yl)sulfanylmethyl]quinoxaline?
The IUPAC name of 2-[(5-phenyl-1H-imidazol-2-yl)sulfanylmethyl]quinoxaline (CID 70096506) is 2-[(5-phenyl-1H-imidazol-2-yl)sulfanylmethyl]quinoxaline.
What is the SMILES notation for 2-[(5-phenyl-1H-imidazol-2-yl)sulfanylmethyl]quinoxaline?
The canonical SMILES for 2-[(5-phenyl-1H-imidazol-2-yl)sulfanylmethyl]quinoxaline is c1ccc(-c2cnc(SCc3cnc4ccccc4n3)[nH]2)cc1.
What is the InChIKey of 2-[(5-phenyl-1H-imidazol-2-yl)sulfanylmethyl]quinoxaline?
The InChIKey is UHBPVHXLFVYAAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4S/c1-2-6-13(7-3-1)17-11-20-18(22-17)23-12-14-10-19-15-8-4-5-9-16(15)21-14/h1-11H,12H2,(H,20,22).
What are the key properties of 2-[(5-phenyl-1H-imidazol-2-yl)sulfanylmethyl]quinoxaline?
2-[(5-phenyl-1H-imidazol-2-yl)sulfanylmethyl]quinoxaline has a molecular weight of 318.41 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-phenyl-1H-imidazol-2-yl)sulfanylmethyl]quinoxaline is sourced from PubChem (CID 70096506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).