3-(4-methoxyphenyl)-1-[(E)-2-thiophen-2-ylethenyl]pyrazino[1,2-a]benzimidazole

C23H17N3OS — CID 5471218

IUPAC3-(4-methoxyphenyl)-1-[(E)-2-thiophen-2-ylethenyl]pyrazino[1,2-a]benzimidazole
SMILESCOc1ccc(-c2cn3c(nc4ccccc43)c(/C=C/c3cccs3)n2)cc1
InChIInChI=1S/C23H17N3OS/c1-27-17-10-8-16(9-11-17)21-15-26-22-7-3-2-6-19(22)25-23(26)20(24-21)13-12-18-5-4-14-28-18/h2-15H,1H3/b13-12+
InChIKeyUMZLUAOYYKUESL-OUKQBFOZSA-N
MW383.48 g/mol
LogP5.79
Rot. Bonds4

About 3-(4-methoxyphenyl)-1-[(E)-2-thiophen-2-ylethenyl]pyrazino[1,2-a]benzimidazole

3-(4-methoxyphenyl)-1-[(E)-2-thiophen-2-ylethenyl]pyrazino[1,2-a]benzimidazole (PubChem CID 5471218) has the molecular formula C23H17N3OS and a molecular weight of 383.48 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-1-[(E)-2-thiophen-2-ylethenyl]pyrazino[1,2-a]benzimidazole.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-1-[(E)-2-thiophen-2-ylethenyl]pyrazino[1,2-a]benzimidazole
PubChem CID5471218
Molecular FormulaC23H17N3OS
Molecular Weight383.48 g/mol
Exact Mass383.11
IUPAC Name3-(4-methoxyphenyl)-1-[(E)-2-thiophen-2-ylethenyl]pyrazino[1,2-a]benzimidazole
SMILESCOc1ccc(-c2cn3c(nc4ccccc43)c(/C=C/c3cccs3)n2)cc1
InChIInChI=1S/C23H17N3OS/c1-27-17-10-8-16(9-11-17)21-15-26-22-7-3-2-6-19(22)25-23(26)20(24-21)13-12-18-5-4-14-28-18/h2-15H,1H3/b13-12+
InChIKeyUMZLUAOYYKUESL-OUKQBFOZSA-N
XLogP5.79
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.48
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-1-[(E)-2-thiophen-2-ylethenyl]pyrazino[1,2-a]benzimidazole?
The IUPAC name of 3-(4-methoxyphenyl)-1-[(E)-2-thiophen-2-ylethenyl]pyrazino[1,2-a]benzimidazole (CID 5471218) is 3-(4-methoxyphenyl)-1-[(E)-2-thiophen-2-ylethenyl]pyrazino[1,2-a]benzimidazole.
What is the SMILES notation for 3-(4-methoxyphenyl)-1-[(E)-2-thiophen-2-ylethenyl]pyrazino[1,2-a]benzimidazole?
The canonical SMILES for 3-(4-methoxyphenyl)-1-[(E)-2-thiophen-2-ylethenyl]pyrazino[1,2-a]benzimidazole is COc1ccc(-c2cn3c(nc4ccccc43)c(/C=C/c3cccs3)n2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-1-[(E)-2-thiophen-2-ylethenyl]pyrazino[1,2-a]benzimidazole?
The InChIKey is UMZLUAOYYKUESL-OUKQBFOZSA-N. The full InChI is InChI=1S/C23H17N3OS/c1-27-17-10-8-16(9-11-17)21-15-26-22-7-3-2-6-19(22)25-23(26)20(24-21)13-12-18-5-4-14-28-18/h2-15H,1H3/b13-12+.
What are the key properties of 3-(4-methoxyphenyl)-1-[(E)-2-thiophen-2-ylethenyl]pyrazino[1,2-a]benzimidazole?
3-(4-methoxyphenyl)-1-[(E)-2-thiophen-2-ylethenyl]pyrazino[1,2-a]benzimidazole has a molecular weight of 383.48 g/mol, XLogP of 5.79, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-1-[(E)-2-thiophen-2-ylethenyl]pyrazino[1,2-a]benzimidazole is sourced from PubChem (CID 5471218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).