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

C23H17N3S — CID 6478366

IUPAC3-(4-methylphenyl)-1-[(E)-2-thiophen-2-ylethenyl]pyrazino[1,2-a]benzimidazole
SMILESCc1ccc(-c2cn3c(nc4ccccc43)c(/C=C/c3cccs3)n2)cc1
InChIInChI=1S/C23H17N3S/c1-16-8-10-17(11-9-16)21-15-26-22-7-3-2-6-19(22)25-23(26)20(24-21)13-12-18-5-4-14-27-18/h2-15H,1H3/b13-12+
InChIKeyLLOWASSXQMBMSH-OUKQBFOZSA-N
MW367.48 g/mol
LogP6.09
Rot. Bonds3

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

3-(4-methylphenyl)-1-[(E)-2-thiophen-2-ylethenyl]pyrazino[1,2-a]benzimidazole (PubChem CID 6478366) has the molecular formula C23H17N3S and a molecular weight of 367.48 g/mol. Its IUPAC name is 3-(4-methylphenyl)-1-[(E)-2-thiophen-2-ylethenyl]pyrazino[1,2-a]benzimidazole.

Molecular Properties

Compound Name3-(4-methylphenyl)-1-[(E)-2-thiophen-2-ylethenyl]pyrazino[1,2-a]benzimidazole
PubChem CID6478366
Molecular FormulaC23H17N3S
Molecular Weight367.48 g/mol
Exact Mass367.11
IUPAC Name3-(4-methylphenyl)-1-[(E)-2-thiophen-2-ylethenyl]pyrazino[1,2-a]benzimidazole
SMILESCc1ccc(-c2cn3c(nc4ccccc43)c(/C=C/c3cccs3)n2)cc1
InChIInChI=1S/C23H17N3S/c1-16-8-10-17(11-9-16)21-15-26-22-7-3-2-6-19(22)25-23(26)20(24-21)13-12-18-5-4-14-27-18/h2-15H,1H3/b13-12+
InChIKeyLLOWASSXQMBMSH-OUKQBFOZSA-N
XLogP6.09
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.48
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-Phenyl-3-p-tolyl-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-1-ium
CID 2873568
E6Clv6G2RR
CID 16750138
Imidazopyridine 10e
CID 5329344
Imidazopyridine 10f
CID 5329345
6-(thiophen-3-yl)-5H-pyrrolo[2,3-b]pyrazine
CID 6538803
1-[(4-methylphenyl)methyl]-4-(thiophen-3-yl)-1H-imidazole
CID 6539905
Ikk-IN-3
CID 10215156
12-Methyl-4-phenyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 20823959
N,12-dimethyl-4-phenyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 20823960
12-methyl-4-phenyl-N-[2-(piperidin-1-yl)ethyl]-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 20823975
Dimethyl[2-({12-methyl-4-phenyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-yl}amino)ethyl]amine
CID 20823982
N-ethyl-12-methyl-4-phenyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 20824060

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-1-[(E)-2-thiophen-2-ylethenyl]pyrazino[1,2-a]benzimidazole?
The IUPAC name of 3-(4-methylphenyl)-1-[(E)-2-thiophen-2-ylethenyl]pyrazino[1,2-a]benzimidazole (CID 6478366) is 3-(4-methylphenyl)-1-[(E)-2-thiophen-2-ylethenyl]pyrazino[1,2-a]benzimidazole.
What is the SMILES notation for 3-(4-methylphenyl)-1-[(E)-2-thiophen-2-ylethenyl]pyrazino[1,2-a]benzimidazole?
The canonical SMILES for 3-(4-methylphenyl)-1-[(E)-2-thiophen-2-ylethenyl]pyrazino[1,2-a]benzimidazole is Cc1ccc(-c2cn3c(nc4ccccc43)c(/C=C/c3cccs3)n2)cc1.
What is the InChIKey of 3-(4-methylphenyl)-1-[(E)-2-thiophen-2-ylethenyl]pyrazino[1,2-a]benzimidazole?
The InChIKey is LLOWASSXQMBMSH-OUKQBFOZSA-N. The full InChI is InChI=1S/C23H17N3S/c1-16-8-10-17(11-9-16)21-15-26-22-7-3-2-6-19(22)25-23(26)20(24-21)13-12-18-5-4-14-27-18/h2-15H,1H3/b13-12+.
What are the key properties of 3-(4-methylphenyl)-1-[(E)-2-thiophen-2-ylethenyl]pyrazino[1,2-a]benzimidazole?
3-(4-methylphenyl)-1-[(E)-2-thiophen-2-ylethenyl]pyrazino[1,2-a]benzimidazole has a molecular weight of 367.48 g/mol, XLogP of 6.09, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-1-[(E)-2-thiophen-2-ylethenyl]pyrazino[1,2-a]benzimidazole is sourced from PubChem (CID 6478366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).