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

C22H14ClN3S — CID 5471219

IUPAC3-(4-chlorophenyl)-1-[(E)-2-thiophen-2-ylethenyl]pyrazino[1,2-a]benzimidazole
SMILESClc1ccc(-c2cn3c(nc4ccccc43)c(/C=C/c3cccs3)n2)cc1
InChIInChI=1S/C22H14ClN3S/c23-16-9-7-15(8-10-16)20-14-26-21-6-2-1-5-18(21)25-22(26)19(24-20)12-11-17-4-3-13-27-17/h1-14H/b12-11+
InChIKeyCMBTXTXSKJVUAF-VAWYXSNFSA-N
MW387.90 g/mol
LogP6.43
Rot. Bonds3

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

3-(4-chlorophenyl)-1-[(E)-2-thiophen-2-ylethenyl]pyrazino[1,2-a]benzimidazole (PubChem CID 5471219) has the molecular formula C22H14ClN3S and a molecular weight of 387.90 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-[(E)-2-thiophen-2-ylethenyl]pyrazino[1,2-a]benzimidazole.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1-[(E)-2-thiophen-2-ylethenyl]pyrazino[1,2-a]benzimidazole
PubChem CID5471219
Molecular FormulaC22H14ClN3S
Molecular Weight387.90 g/mol
Exact Mass387.06
IUPAC Name3-(4-chlorophenyl)-1-[(E)-2-thiophen-2-ylethenyl]pyrazino[1,2-a]benzimidazole
SMILESClc1ccc(-c2cn3c(nc4ccccc43)c(/C=C/c3cccs3)n2)cc1
InChIInChI=1S/C22H14ClN3S/c23-16-9-7-15(8-10-16)20-14-26-21-6-2-1-5-18(21)25-22(26)19(24-20)12-11-17-4-3-13-27-17/h1-14H/b12-11+
InChIKeyCMBTXTXSKJVUAF-VAWYXSNFSA-N
XLogP6.43
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.90
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-(2-(2-thienyl)imidazo(1,2-a)pyridin-3-yl)benzamide
CID 979718
6-(4-Chlorophenyl)-2-phenylimidazo[1,2-a]pyridine
CID 58880630
6-Methyl-2-[5-(2-pyridinyl)-2-thienyl]imidazo[1,2-a]pyridine
CID 2813457
2-Thiophen-2-ylimidazo[2,1-a]isoquinoline
CID 763549
3-{2-[(4-Chlorobenzyl)thio]pyrimidin-4-yl}-2-methylimidazo[1,2-a]pyridine
CID 2745488
N-benzyl-6-methyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-amine
CID 808829
5-[(5-Chloro-2-thienyl)methyl]-2-phenyl-5h-imidazo[4,5-c]pyridine
CID 10064916
8-[4-[(2,4-Dichlorophenyl)methyl]piperazin-1-yl]-3-thia-1,7-diazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene
CID 10645615
2-[4-(7-Chloro-8-thiophen-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]acetonitrile
CID 11304151
2-[[1-[4,4-Bis(4-fluorophenyl)butyl]piperidin-4-yl]methyl]-3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridine
CID 14013470
N-(4-(6-chloro-3H-imidazo[4,5-b]pyridin-2-ylamino)phenethyl)thieno[3,2-d]pyrimidin-4-amine
CID 46883181
7-(7-(4-(4-Methylpiperazin-1-yl)phenyl)imidazo[1,2-a]pyridin-3-yl)thieno[3,2-b]pyridine
CID 56973448

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1-[(E)-2-thiophen-2-ylethenyl]pyrazino[1,2-a]benzimidazole?
The IUPAC name of 3-(4-chlorophenyl)-1-[(E)-2-thiophen-2-ylethenyl]pyrazino[1,2-a]benzimidazole (CID 5471219) is 3-(4-chlorophenyl)-1-[(E)-2-thiophen-2-ylethenyl]pyrazino[1,2-a]benzimidazole.
What is the SMILES notation for 3-(4-chlorophenyl)-1-[(E)-2-thiophen-2-ylethenyl]pyrazino[1,2-a]benzimidazole?
The canonical SMILES for 3-(4-chlorophenyl)-1-[(E)-2-thiophen-2-ylethenyl]pyrazino[1,2-a]benzimidazole is Clc1ccc(-c2cn3c(nc4ccccc43)c(/C=C/c3cccs3)n2)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-1-[(E)-2-thiophen-2-ylethenyl]pyrazino[1,2-a]benzimidazole?
The InChIKey is CMBTXTXSKJVUAF-VAWYXSNFSA-N. The full InChI is InChI=1S/C22H14ClN3S/c23-16-9-7-15(8-10-16)20-14-26-21-6-2-1-5-18(21)25-22(26)19(24-20)12-11-17-4-3-13-27-17/h1-14H/b12-11+.
What are the key properties of 3-(4-chlorophenyl)-1-[(E)-2-thiophen-2-ylethenyl]pyrazino[1,2-a]benzimidazole?
3-(4-chlorophenyl)-1-[(E)-2-thiophen-2-ylethenyl]pyrazino[1,2-a]benzimidazole has a molecular weight of 387.90 g/mol, XLogP of 6.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1-[(E)-2-thiophen-2-ylethenyl]pyrazino[1,2-a]benzimidazole is sourced from PubChem (CID 5471219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).