3-[3-(2-piperidin-1-ylethyl)imidazo[1,2-a]benzimidazol-2-yl]phenol

C22H24N4O — CID 5116850

IUPAC3-[3-(2-piperidin-1-ylethyl)imidazo[1,2-a]benzimidazol-2-yl]phenol
SMILESOc1cccc(-c2cn3c4ccccc4nc3n2CCN2CCCCC2)c1
InChIInChI=1S/C22H24N4O/c27-18-8-6-7-17(15-18)21-16-26-20-10-3-2-9-19(20)23-22(26)25(21)14-13-24-11-4-1-5-12-24/h2-3,6-10,15-16,27H,1,4-5,11-14H2
InChIKeyDJLHFIOVQHHHQY-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.15
Rot. Bonds4

About 3-[3-(2-piperidin-1-ylethyl)imidazo[1,2-a]benzimidazol-2-yl]phenol

3-[3-(2-piperidin-1-ylethyl)imidazo[1,2-a]benzimidazol-2-yl]phenol (PubChem CID 5116850) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is 3-[3-(2-piperidin-1-ylethyl)imidazo[1,2-a]benzimidazol-2-yl]phenol.

Molecular Properties

Compound Name3-[3-(2-piperidin-1-ylethyl)imidazo[1,2-a]benzimidazol-2-yl]phenol
PubChem CID5116850
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name3-[3-(2-piperidin-1-ylethyl)imidazo[1,2-a]benzimidazol-2-yl]phenol
SMILESOc1cccc(-c2cn3c4ccccc4nc3n2CCN2CCCCC2)c1
InChIInChI=1S/C22H24N4O/c27-18-8-6-7-17(15-18)21-16-26-20-10-3-2-9-19(20)23-22(26)25(21)14-13-24-11-4-1-5-12-24/h2-3,6-10,15-16,27H,1,4-5,11-14H2
InChIKeyDJLHFIOVQHHHQY-UHFFFAOYSA-N
XLogP4.15
TPSA45.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(2-phenylimidazo[1,2-a]benzimidazol-3-yl)ethyl]morpholine
CID 749145
4-[2-(2-phenylimidazo[1,2-a]benzimidazol-3-yl)ethyl]morpholine;dihydrochloride
CID 2851496
4-[2-(2-phenylimidazo[1,2-a]benzimidazol-3-yl)ethyl]morpholine;hydrochloride
CID 146051190
2-(4-methoxyphenyl)-3-(2-piperidin-1-ylethyl)imidazo[1,2-a]benzimidazole;hydrochloride
CID 126476325
3-(2-piperidin-1-ylethyl)-2-thiophen-2-ylimidazo[1,2-a]benzimidazole
CID 3265105
3-(2-phenylimidazo[1,2-a]benzimidazol-3-yl)phenol
CID 4842961
2-(4-phenylphenyl)-4-(2-piperidin-1-ylethyl)imidazo[1,2-a]benzimidazole;dihydrochloride
CID 2858997
2-[[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]amino]ethanol chloride
CID 53313615
2-[[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]methyl]benzotriazole
CID 5272032
N-methyl-1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-amine
CID 82359477
2-(4-ethylphenyl)-3-(2-piperidin-1-ium-1-ylethyl)imidazo[1,2-a]benzimidazole
CID 4106183
N-[2-[2-(4-methylphenyl)imidazo[1,2-a]benzimidazol-3-yl]ethyl]cyclohexanamine
CID 1121243

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-piperidin-1-ylethyl)imidazo[1,2-a]benzimidazol-2-yl]phenol?
The IUPAC name of 3-[3-(2-piperidin-1-ylethyl)imidazo[1,2-a]benzimidazol-2-yl]phenol (CID 5116850) is 3-[3-(2-piperidin-1-ylethyl)imidazo[1,2-a]benzimidazol-2-yl]phenol.
What is the SMILES notation for 3-[3-(2-piperidin-1-ylethyl)imidazo[1,2-a]benzimidazol-2-yl]phenol?
The canonical SMILES for 3-[3-(2-piperidin-1-ylethyl)imidazo[1,2-a]benzimidazol-2-yl]phenol is Oc1cccc(-c2cn3c4ccccc4nc3n2CCN2CCCCC2)c1.
What is the InChIKey of 3-[3-(2-piperidin-1-ylethyl)imidazo[1,2-a]benzimidazol-2-yl]phenol?
The InChIKey is DJLHFIOVQHHHQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c27-18-8-6-7-17(15-18)21-16-26-20-10-3-2-9-19(20)23-22(26)25(21)14-13-24-11-4-1-5-12-24/h2-3,6-10,15-16,27H,1,4-5,11-14H2.
What are the key properties of 3-[3-(2-piperidin-1-ylethyl)imidazo[1,2-a]benzimidazol-2-yl]phenol?
3-[3-(2-piperidin-1-ylethyl)imidazo[1,2-a]benzimidazol-2-yl]phenol has a molecular weight of 360.46 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-piperidin-1-ylethyl)imidazo[1,2-a]benzimidazol-2-yl]phenol is sourced from PubChem (CID 5116850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).