3-(2-piperidin-1-ylethyl)-2-thiophen-2-ylimidazo[1,2-a]benzimidazole

C20H22N4S — CID 3265105

IUPAC3-(2-piperidin-1-ylethyl)-2-thiophen-2-ylimidazo[1,2-a]benzimidazole
SMILESc1csc(-c2cn3c4ccccc4nc3n2CCN2CCCCC2)c1
InChIInChI=1S/C20H22N4S/c1-4-10-22(11-5-1)12-13-23-18(19-9-6-14-25-19)15-24-17-8-3-2-7-16(17)21-20(23)24/h2-3,6-9,14-15H,1,4-5,10-13H2
InChIKeyMKYNQLZUHZKKRF-UHFFFAOYSA-N
MW350.49 g/mol
LogP4.50
Rot. Bonds4

About 3-(2-piperidin-1-ylethyl)-2-thiophen-2-ylimidazo[1,2-a]benzimidazole

3-(2-piperidin-1-ylethyl)-2-thiophen-2-ylimidazo[1,2-a]benzimidazole (PubChem CID 3265105) has the molecular formula C20H22N4S and a molecular weight of 350.49 g/mol. Its IUPAC name is 3-(2-piperidin-1-ylethyl)-2-thiophen-2-ylimidazo[1,2-a]benzimidazole.

Molecular Properties

Compound Name3-(2-piperidin-1-ylethyl)-2-thiophen-2-ylimidazo[1,2-a]benzimidazole
PubChem CID3265105
Molecular FormulaC20H22N4S
Molecular Weight350.49 g/mol
Exact Mass350.16
IUPAC Name3-(2-piperidin-1-ylethyl)-2-thiophen-2-ylimidazo[1,2-a]benzimidazole
SMILESc1csc(-c2cn3c4ccccc4nc3n2CCN2CCCCC2)c1
InChIInChI=1S/C20H22N4S/c1-4-10-22(11-5-1)12-13-23-18(19-9-6-14-25-19)15-24-17-8-3-2-7-16(17)21-20(23)24/h2-3,6-9,14-15H,1,4-5,10-13H2
InChIKeyMKYNQLZUHZKKRF-UHFFFAOYSA-N
XLogP4.50
TPSA25.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.49
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-piperidin-1-ylethyl)-2-thiophen-2-ylimidazo[1,2-a]benzimidazole?
The IUPAC name of 3-(2-piperidin-1-ylethyl)-2-thiophen-2-ylimidazo[1,2-a]benzimidazole (CID 3265105) is 3-(2-piperidin-1-ylethyl)-2-thiophen-2-ylimidazo[1,2-a]benzimidazole.
What is the SMILES notation for 3-(2-piperidin-1-ylethyl)-2-thiophen-2-ylimidazo[1,2-a]benzimidazole?
The canonical SMILES for 3-(2-piperidin-1-ylethyl)-2-thiophen-2-ylimidazo[1,2-a]benzimidazole is c1csc(-c2cn3c4ccccc4nc3n2CCN2CCCCC2)c1.
What is the InChIKey of 3-(2-piperidin-1-ylethyl)-2-thiophen-2-ylimidazo[1,2-a]benzimidazole?
The InChIKey is MKYNQLZUHZKKRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4S/c1-4-10-22(11-5-1)12-13-23-18(19-9-6-14-25-19)15-24-17-8-3-2-7-16(17)21-20(23)24/h2-3,6-9,14-15H,1,4-5,10-13H2.
What are the key properties of 3-(2-piperidin-1-ylethyl)-2-thiophen-2-ylimidazo[1,2-a]benzimidazole?
3-(2-piperidin-1-ylethyl)-2-thiophen-2-ylimidazo[1,2-a]benzimidazole has a molecular weight of 350.49 g/mol, XLogP of 4.50, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-piperidin-1-ylethyl)-2-thiophen-2-ylimidazo[1,2-a]benzimidazole is sourced from PubChem (CID 3265105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).