2-phenyl-3-(2-piperidin-1-ylethyl)imidazo[1,2-a]benzimidazole

C22H24N4 — CID 828283

IUPAC2-phenyl-3-(2-piperidin-1-ylethyl)imidazo[1,2-a]benzimidazole
SMILESc1ccc(-c2cn3c4ccccc4nc3n2CCN2CCCCC2)cc1
InChIInChI=1S/C22H24N4/c1-3-9-18(10-4-1)21-17-26-20-12-6-5-11-19(20)23-22(26)25(21)16-15-24-13-7-2-8-14-24/h1,3-6,9-12,17H,2,7-8,13-16H2
InChIKeyOCOYXPRIWSLHAL-UHFFFAOYSA-N
MW344.46 g/mol
LogP4.44
Rot. Bonds4

About 2-phenyl-3-(2-piperidin-1-ylethyl)imidazo[1,2-a]benzimidazole

2-phenyl-3-(2-piperidin-1-ylethyl)imidazo[1,2-a]benzimidazole (PubChem CID 828283) has the molecular formula C22H24N4 and a molecular weight of 344.46 g/mol. Its IUPAC name is 2-phenyl-3-(2-piperidin-1-ylethyl)imidazo[1,2-a]benzimidazole.

Molecular Properties

Compound Name2-phenyl-3-(2-piperidin-1-ylethyl)imidazo[1,2-a]benzimidazole
PubChem CID828283
Molecular FormulaC22H24N4
Molecular Weight344.46 g/mol
Exact Mass344.20
IUPAC Name2-phenyl-3-(2-piperidin-1-ylethyl)imidazo[1,2-a]benzimidazole
SMILESc1ccc(-c2cn3c4ccccc4nc3n2CCN2CCCCC2)cc1
InChIInChI=1S/C22H24N4/c1-3-9-18(10-4-1)21-17-26-20-12-6-5-11-19(20)23-22(26)25(21)16-15-24-13-7-2-8-14-24/h1,3-6,9-12,17H,2,7-8,13-16H2
InChIKeyOCOYXPRIWSLHAL-UHFFFAOYSA-N
XLogP4.44
TPSA25.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-(2-piperidin-1-ylethyl)imidazo[1,2-a]benzimidazole?
The IUPAC name of 2-phenyl-3-(2-piperidin-1-ylethyl)imidazo[1,2-a]benzimidazole (CID 828283) is 2-phenyl-3-(2-piperidin-1-ylethyl)imidazo[1,2-a]benzimidazole.
What is the SMILES notation for 2-phenyl-3-(2-piperidin-1-ylethyl)imidazo[1,2-a]benzimidazole?
The canonical SMILES for 2-phenyl-3-(2-piperidin-1-ylethyl)imidazo[1,2-a]benzimidazole is c1ccc(-c2cn3c4ccccc4nc3n2CCN2CCCCC2)cc1.
What is the InChIKey of 2-phenyl-3-(2-piperidin-1-ylethyl)imidazo[1,2-a]benzimidazole?
The InChIKey is OCOYXPRIWSLHAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4/c1-3-9-18(10-4-1)21-17-26-20-12-6-5-11-19(20)23-22(26)25(21)16-15-24-13-7-2-8-14-24/h1,3-6,9-12,17H,2,7-8,13-16H2.
What are the key properties of 2-phenyl-3-(2-piperidin-1-ylethyl)imidazo[1,2-a]benzimidazole?
2-phenyl-3-(2-piperidin-1-ylethyl)imidazo[1,2-a]benzimidazole has a molecular weight of 344.46 g/mol, XLogP of 4.44, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-(2-piperidin-1-ylethyl)imidazo[1,2-a]benzimidazole is sourced from PubChem (CID 828283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).