5-[2-(6-fluoro-1-benzothiophen-5-yl)ethyl]-5H-imidazo[5,1-a]isoindole

C20H15FN2S — CID 163846060

IUPAC5-[2-(6-fluoro-1-benzothiophen-5-yl)ethyl]-5H-imidazo[5,1-a]isoindole
SMILESFc1cc2sccc2cc1CCC1c2ccccc2-c2cncn21
InChIInChI=1S/C20H15FN2S/c21-17-10-20-14(7-8-24-20)9-13(17)5-6-18-15-3-1-2-4-16(15)19-11-22-12-23(18)19/h1-4,7-12,18H,5-6H2
InChIKeyOQGQZPCHTFFLLY-UHFFFAOYSA-N
MW334.42 g/mol
LogP5.44
Rot. Bonds3

About 5-[2-(6-fluoro-1-benzothiophen-5-yl)ethyl]-5H-imidazo[5,1-a]isoindole

5-[2-(6-fluoro-1-benzothiophen-5-yl)ethyl]-5H-imidazo[5,1-a]isoindole (PubChem CID 163846060) has the molecular formula C20H15FN2S and a molecular weight of 334.42 g/mol. Its IUPAC name is 5-[2-(6-fluoro-1-benzothiophen-5-yl)ethyl]-5H-imidazo[5,1-a]isoindole.

Molecular Properties

Compound Name5-[2-(6-fluoro-1-benzothiophen-5-yl)ethyl]-5H-imidazo[5,1-a]isoindole
PubChem CID163846060
Molecular FormulaC20H15FN2S
Molecular Weight334.42 g/mol
Exact Mass334.09
IUPAC Name5-[2-(6-fluoro-1-benzothiophen-5-yl)ethyl]-5H-imidazo[5,1-a]isoindole
SMILESFc1cc2sccc2cc1CCC1c2ccccc2-c2cncn21
InChIInChI=1S/C20H15FN2S/c21-17-10-20-14(7-8-24-20)9-13(17)5-6-18-15-3-1-2-4-16(15)19-11-22-12-23(18)19/h1-4,7-12,18H,5-6H2
InChIKeyOQGQZPCHTFFLLY-UHFFFAOYSA-N
XLogP5.44
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.42
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-[2-(6-fluoro-1-benzothiophen-5-yl)ethyl]-5H-imidazo[5,1-a]isoindole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Benzo[b]thiophen-3-yl-5-imidazol-1-ylmethyl-pyridine
CID 57329787
2-Benzo[b]thiophen-2-yl-5-imidazol-1-ylmethyl-pyridine
CID 70685192
Disubstituted imidazole 27
CID 6539909
1-[(2-methylphenyl)methyl]-4-(thiophen-3-yl)-1H-imidazole
CID 6539908
(1S,4S)-2-(5-(benzo[b]thiophen-5-yl)pyrazin-2-yl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane
CID 46890770
3-(4-Fluorophenyl)-7-thiophen-2-ylimidazo[1,2-a]pyridine
CID 118733891
2-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]-1,3-thiazole
CID 155515098
2-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]-1,3-benzothiazole
CID 155555581
2-(4-Fluorophenyl)-3-(thiophen-3-ylmethyl)imidazo[2,1-a]isoquinoline
CID 51359835
7-[2-(1-Fluorocyclohexyl)ethyl]-9-thia-4,6-diazatricyclo[6.3.0.02,6]undeca-1(8),2,4,10-tetraene
CID 130360247
2-(4-Fluorophenyl)-3-(3-phenylphenyl)-6-(3-thienyl)imidazo[1,2-a]pyridine
CID 71699136
3-(3-Phenylphenyl)-6-(3-thienyl)imidazo[1,2-a]pyridine
CID 71699304

Frequently Asked Questions

What is the IUPAC name of 5-[2-(6-fluoro-1-benzothiophen-5-yl)ethyl]-5H-imidazo[5,1-a]isoindole?
The IUPAC name of 5-[2-(6-fluoro-1-benzothiophen-5-yl)ethyl]-5H-imidazo[5,1-a]isoindole (CID 163846060) is 5-[2-(6-fluoro-1-benzothiophen-5-yl)ethyl]-5H-imidazo[5,1-a]isoindole.
What is the SMILES notation for 5-[2-(6-fluoro-1-benzothiophen-5-yl)ethyl]-5H-imidazo[5,1-a]isoindole?
The canonical SMILES for 5-[2-(6-fluoro-1-benzothiophen-5-yl)ethyl]-5H-imidazo[5,1-a]isoindole is Fc1cc2sccc2cc1CCC1c2ccccc2-c2cncn21.
What is the InChIKey of 5-[2-(6-fluoro-1-benzothiophen-5-yl)ethyl]-5H-imidazo[5,1-a]isoindole?
The InChIKey is OQGQZPCHTFFLLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN2S/c21-17-10-20-14(7-8-24-20)9-13(17)5-6-18-15-3-1-2-4-16(15)19-11-22-12-23(18)19/h1-4,7-12,18H,5-6H2.
What are the key properties of 5-[2-(6-fluoro-1-benzothiophen-5-yl)ethyl]-5H-imidazo[5,1-a]isoindole?
5-[2-(6-fluoro-1-benzothiophen-5-yl)ethyl]-5H-imidazo[5,1-a]isoindole has a molecular weight of 334.42 g/mol, XLogP of 5.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(6-fluoro-1-benzothiophen-5-yl)ethyl]-5H-imidazo[5,1-a]isoindole is sourced from PubChem (CID 163846060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).