diethyl-[2-(2-phenylimidazo[1,2-a]benzimidazol-4-yl)ethyl]azanium

C21H25N4+ — CID 7358652

IUPACdiethyl-[2-(2-phenylimidazo[1,2-a]benzimidazol-4-yl)ethyl]azanium
SMILESCC[NH+](CC)CCn1c2ccccc2n2cc(-c3ccccc3)nc12
InChIInChI=1S/C21H24N4/c1-3-23(4-2)14-15-24-19-12-8-9-13-20(19)25-16-18(22-21(24)25)17-10-6-5-7-11-17/h5-13,16H,3-4,14-15H2,1-2H3/p+1
InChIKeyHMPKOXQVGWHRCO-UHFFFAOYSA-O
MW333.46 g/mol
LogP2.88
Rot. Bonds6

About diethyl-[2-(2-phenylimidazo[1,2-a]benzimidazol-4-yl)ethyl]azanium

diethyl-[2-(2-phenylimidazo[1,2-a]benzimidazol-4-yl)ethyl]azanium (PubChem CID 7358652) has the molecular formula C21H25N4+ and a molecular weight of 333.46 g/mol. Its IUPAC name is diethyl-[2-(2-phenylimidazo[1,2-a]benzimidazol-4-yl)ethyl]azanium.

Molecular Properties

Compound Namediethyl-[2-(2-phenylimidazo[1,2-a]benzimidazol-4-yl)ethyl]azanium
PubChem CID7358652
Molecular FormulaC21H25N4+
Molecular Weight333.46 g/mol
Exact Mass333.21
IUPAC Namediethyl-[2-(2-phenylimidazo[1,2-a]benzimidazol-4-yl)ethyl]azanium
SMILESCC[NH+](CC)CCn1c2ccccc2n2cc(-c3ccccc3)nc12
InChIInChI=1S/C21H24N4/c1-3-23(4-2)14-15-24-19-12-8-9-13-20(19)25-16-18(22-21(24)25)17-10-6-5-7-11-17/h5-13,16H,3-4,14-15H2,1-2H3/p+1
InChIKeyHMPKOXQVGWHRCO-UHFFFAOYSA-O
XLogP2.88
TPSA26.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenyl-4-propylimidazo[1,2-a]benzimidazole
CID 799630
4-butyl-2-(4-fluorophenyl)imidazo[1,2-a]benzimidazole;hydrochloride
CID 52994899
2-(4-phenylphenyl)-4-(2-piperidin-1-ylethyl)imidazo[1,2-a]benzimidazole;dihydrochloride
CID 2858997
2-[2-(3-bromophenyl)imidazo[1,2-a]benzimidazol-4-yl]-N,N-diethylethanamine
CID 3332849
2-(4-nitrophenyl)-4-propylimidazo[1,2-a]benzimidazole
CID 780051
4-[4-[2-(diethylamino)ethyl]imidazo[1,2-a]benzimidazol-2-yl]phenol
CID 878680
2-[2-(4-chlorophenyl)imidazo[1,2-a]benzimidazol-4-yl]-N,N-diethylethanamine
CID 1097858
4-ethyl-6,7-dimethyl-2-phenylimidazo[1,2-a]benzimidazole
CID 3603787
2-(4-methoxyphenyl)-4-(2-piperidin-1-ylethyl)imidazo[1,2-a]benzimidazole
CID 1291433
2-(2,6-dimethyl-4-oxo-5-phenylpyrimidin-1-yl)ethyl-diethylazanium
CID 7241083
diethyl-[3-[2-(4-methylphenyl)imidazo[1,2-a]benzimidazol-3-yl]propyl]azanium
CID 6985044
2-(4-fluorophenyl)-4-[(4-methylphenyl)methyl]imidazo[1,2-a]benzimidazole
CID 3281057

Frequently Asked Questions

What is the IUPAC name of diethyl-[2-(2-phenylimidazo[1,2-a]benzimidazol-4-yl)ethyl]azanium?
The IUPAC name of diethyl-[2-(2-phenylimidazo[1,2-a]benzimidazol-4-yl)ethyl]azanium (CID 7358652) is diethyl-[2-(2-phenylimidazo[1,2-a]benzimidazol-4-yl)ethyl]azanium.
What is the SMILES notation for diethyl-[2-(2-phenylimidazo[1,2-a]benzimidazol-4-yl)ethyl]azanium?
The canonical SMILES for diethyl-[2-(2-phenylimidazo[1,2-a]benzimidazol-4-yl)ethyl]azanium is CC[NH+](CC)CCn1c2ccccc2n2cc(-c3ccccc3)nc12.
What is the InChIKey of diethyl-[2-(2-phenylimidazo[1,2-a]benzimidazol-4-yl)ethyl]azanium?
The InChIKey is HMPKOXQVGWHRCO-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H24N4/c1-3-23(4-2)14-15-24-19-12-8-9-13-20(19)25-16-18(22-21(24)25)17-10-6-5-7-11-17/h5-13,16H,3-4,14-15H2,1-2H3/p+1.
What are the key properties of diethyl-[2-(2-phenylimidazo[1,2-a]benzimidazol-4-yl)ethyl]azanium?
diethyl-[2-(2-phenylimidazo[1,2-a]benzimidazol-4-yl)ethyl]azanium has a molecular weight of 333.46 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-[2-(2-phenylimidazo[1,2-a]benzimidazol-4-yl)ethyl]azanium is sourced from PubChem (CID 7358652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).