4-[2-(2-phenylimidazo[1,2-a]benzimidazol-3-yl)ethyl]morpholine;dihydrochloride

C21H24Cl2N4O — CID 2851496

IUPAC4-[2-(2-phenylimidazo[1,2-a]benzimidazol-3-yl)ethyl]morpholine;dihydrochloride
SMILESCl.Cl.c1ccc(-c2cn3c4ccccc4nc3n2CCN2CCOCC2)cc1
InChIInChI=1S/C21H22N4O.2ClH/c1-2-6-17(7-3-1)20-16-25-19-9-5-4-8-18(19)22-21(25)24(20)11-10-23-12-14-26-15-13-23;;/h1-9,16H,10-15H2;2*1H
InChIKeyNPLFXEFWQYEXQM-UHFFFAOYSA-N
MW419.36 g/mol
LogP4.13
Rot. Bonds4

About 4-[2-(2-phenylimidazo[1,2-a]benzimidazol-3-yl)ethyl]morpholine;dihydrochloride

4-[2-(2-phenylimidazo[1,2-a]benzimidazol-3-yl)ethyl]morpholine;dihydrochloride (PubChem CID 2851496) has the molecular formula C21H24Cl2N4O and a molecular weight of 419.36 g/mol. Its IUPAC name is 4-[2-(2-phenylimidazo[1,2-a]benzimidazol-3-yl)ethyl]morpholine;dihydrochloride.

Molecular Properties

Compound Name4-[2-(2-phenylimidazo[1,2-a]benzimidazol-3-yl)ethyl]morpholine;dihydrochloride
PubChem CID2851496
Molecular FormulaC21H24Cl2N4O
Molecular Weight419.36 g/mol
Exact Mass418.13
IUPAC Name4-[2-(2-phenylimidazo[1,2-a]benzimidazol-3-yl)ethyl]morpholine;dihydrochloride
SMILESCl.Cl.c1ccc(-c2cn3c4ccccc4nc3n2CCN2CCOCC2)cc1
InChIInChI=1S/C21H22N4O.2ClH/c1-2-6-17(7-3-1)20-16-25-19-9-5-4-8-18(19)22-21(25)24(20)11-10-23-12-14-26-15-13-23;;/h1-9,16H,10-15H2;2*1H
InChIKeyNPLFXEFWQYEXQM-UHFFFAOYSA-N
XLogP4.13
TPSA34.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.36
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(2-phenylimidazo[1,2-a]benzimidazol-3-yl)ethyl]morpholine;hydrochloride
CID 146051190
4-[2-(2-phenylimidazo[1,2-a]benzimidazol-3-yl)ethyl]morpholine
CID 749145
3-[3-(2-piperidin-1-ylethyl)imidazo[1,2-a]benzimidazol-2-yl]phenol
CID 5116850
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
2-hydroxy-1-(2-morpholin-4-ylethyl)-3-phenylpyrimido[1,2-a]benzimidazol-4-one
CID 4901820
4-[2-([1,2,4]triazolo[1,5-a]benzimidazol-3-yl)ethyl]morpholine;dihydrochloride
CID 126467944
2-tert-butyl-3-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,2-a]benzimidazole;dihydrochloride
CID 52997418
2-(4-chlorophenyl)-3-(3-chloropropyl)imidazo[1,2-a]benzimidazole
CID 3374476
4-[2-[2-(5-bromothiophen-2-yl)imidazo[1,2-a]benzimidazol-4-yl]ethyl]morpholine
CID 19040854
2-(4-phenylphenyl)-4-(2-piperidin-1-ylethyl)imidazo[1,2-a]benzimidazole;dihydrochloride
CID 2858997
N-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
CID 5309921

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-phenylimidazo[1,2-a]benzimidazol-3-yl)ethyl]morpholine;dihydrochloride?
The IUPAC name of 4-[2-(2-phenylimidazo[1,2-a]benzimidazol-3-yl)ethyl]morpholine;dihydrochloride (CID 2851496) is 4-[2-(2-phenylimidazo[1,2-a]benzimidazol-3-yl)ethyl]morpholine;dihydrochloride.
What is the SMILES notation for 4-[2-(2-phenylimidazo[1,2-a]benzimidazol-3-yl)ethyl]morpholine;dihydrochloride?
The canonical SMILES for 4-[2-(2-phenylimidazo[1,2-a]benzimidazol-3-yl)ethyl]morpholine;dihydrochloride is Cl.Cl.c1ccc(-c2cn3c4ccccc4nc3n2CCN2CCOCC2)cc1.
What is the InChIKey of 4-[2-(2-phenylimidazo[1,2-a]benzimidazol-3-yl)ethyl]morpholine;dihydrochloride?
The InChIKey is NPLFXEFWQYEXQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O.2ClH/c1-2-6-17(7-3-1)20-16-25-19-9-5-4-8-18(19)22-21(25)24(20)11-10-23-12-14-26-15-13-23;;/h1-9,16H,10-15H2;2*1H.
What are the key properties of 4-[2-(2-phenylimidazo[1,2-a]benzimidazol-3-yl)ethyl]morpholine;dihydrochloride?
4-[2-(2-phenylimidazo[1,2-a]benzimidazol-3-yl)ethyl]morpholine;dihydrochloride has a molecular weight of 419.36 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-phenylimidazo[1,2-a]benzimidazol-3-yl)ethyl]morpholine;dihydrochloride is sourced from PubChem (CID 2851496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).