2-[2-(1-methyl-4-thiophen-3-ylimidazol-2-yl)ethyl]quinoline

C19H17N3S — CID 54755133

IUPAC2-[2-(1-methyl-4-thiophen-3-ylimidazol-2-yl)ethyl]quinoline
SMILESCn1cc(-c2ccsc2)nc1CCc1ccc2ccccc2n1
InChIInChI=1S/C19H17N3S/c1-22-12-18(15-10-11-23-13-15)21-19(22)9-8-16-7-6-14-4-2-3-5-17(14)20-16/h2-7,10-13H,8-9H2,1H3
InChIKeyXCXFGGIFKWRPPA-UHFFFAOYSA-N
MW319.43 g/mol
LogP4.48
Rot. Bonds4

About 2-[2-(1-methyl-4-thiophen-3-ylimidazol-2-yl)ethyl]quinoline

2-[2-(1-methyl-4-thiophen-3-ylimidazol-2-yl)ethyl]quinoline (PubChem CID 54755133) has the molecular formula C19H17N3S and a molecular weight of 319.43 g/mol. Its IUPAC name is 2-[2-(1-methyl-4-thiophen-3-ylimidazol-2-yl)ethyl]quinoline.

Molecular Properties

Compound Name2-[2-(1-methyl-4-thiophen-3-ylimidazol-2-yl)ethyl]quinoline
PubChem CID54755133
Molecular FormulaC19H17N3S
Molecular Weight319.43 g/mol
Exact Mass319.11
IUPAC Name2-[2-(1-methyl-4-thiophen-3-ylimidazol-2-yl)ethyl]quinoline
SMILESCn1cc(-c2ccsc2)nc1CCc1ccc2ccccc2n1
InChIInChI=1S/C19H17N3S/c1-22-12-18(15-10-11-23-13-15)21-19(22)9-8-16-7-6-14-4-2-3-5-17(14)20-16/h2-7,10-13H,8-9H2,1H3
InChIKeyXCXFGGIFKWRPPA-UHFFFAOYSA-N
XLogP4.48
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-methyl-4-thiophen-3-ylimidazol-2-yl)ethyl]quinoline?
The IUPAC name of 2-[2-(1-methyl-4-thiophen-3-ylimidazol-2-yl)ethyl]quinoline (CID 54755133) is 2-[2-(1-methyl-4-thiophen-3-ylimidazol-2-yl)ethyl]quinoline.
What is the SMILES notation for 2-[2-(1-methyl-4-thiophen-3-ylimidazol-2-yl)ethyl]quinoline?
The canonical SMILES for 2-[2-(1-methyl-4-thiophen-3-ylimidazol-2-yl)ethyl]quinoline is Cn1cc(-c2ccsc2)nc1CCc1ccc2ccccc2n1.
What is the InChIKey of 2-[2-(1-methyl-4-thiophen-3-ylimidazol-2-yl)ethyl]quinoline?
The InChIKey is XCXFGGIFKWRPPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3S/c1-22-12-18(15-10-11-23-13-15)21-19(22)9-8-16-7-6-14-4-2-3-5-17(14)20-16/h2-7,10-13H,8-9H2,1H3.
What are the key properties of 2-[2-(1-methyl-4-thiophen-3-ylimidazol-2-yl)ethyl]quinoline?
2-[2-(1-methyl-4-thiophen-3-ylimidazol-2-yl)ethyl]quinoline has a molecular weight of 319.43 g/mol, XLogP of 4.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-methyl-4-thiophen-3-ylimidazol-2-yl)ethyl]quinoline is sourced from PubChem (CID 54755133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).