diethyl-[2-(2-methyl-[1,2,4]triazolo[1,5-a]benzimidazol-3-yl)ethyl]azanium

C15H22N5+ — CID 3610351

IUPACdiethyl-[2-(2-methyl-[1,2,4]triazolo[1,5-a]benzimidazol-3-yl)ethyl]azanium
SMILESCC[NH+](CC)CCn1c(C)nn2c3ccccc3nc12
InChIInChI=1S/C15H21N5/c1-4-18(5-2)10-11-19-12(3)17-20-14-9-7-6-8-13(14)16-15(19)20/h6-9H,4-5,10-11H2,1-3H3/p+1
InChIKeyBWXPVWCWQDMQGO-UHFFFAOYSA-O
MW272.38 g/mol
LogP0.92
Rot. Bonds5

About diethyl-[2-(2-methyl-[1,2,4]triazolo[1,5-a]benzimidazol-3-yl)ethyl]azanium

diethyl-[2-(2-methyl-[1,2,4]triazolo[1,5-a]benzimidazol-3-yl)ethyl]azanium (PubChem CID 3610351) has the molecular formula C15H22N5+ and a molecular weight of 272.38 g/mol. Its IUPAC name is diethyl-[2-(2-methyl-[1,2,4]triazolo[1,5-a]benzimidazol-3-yl)ethyl]azanium.

Molecular Properties

Compound Namediethyl-[2-(2-methyl-[1,2,4]triazolo[1,5-a]benzimidazol-3-yl)ethyl]azanium
PubChem CID3610351
Molecular FormulaC15H22N5+
Molecular Weight272.38 g/mol
Exact Mass272.19
IUPAC Namediethyl-[2-(2-methyl-[1,2,4]triazolo[1,5-a]benzimidazol-3-yl)ethyl]azanium
SMILESCC[NH+](CC)CCn1c(C)nn2c3ccccc3nc12
InChIInChI=1S/C15H21N5/c1-4-18(5-2)10-11-19-12(3)17-20-14-9-7-6-8-13(14)16-15(19)20/h6-9H,4-5,10-11H2,1-3H3/p+1
InChIKeyBWXPVWCWQDMQGO-UHFFFAOYSA-O
XLogP0.92
TPSA39.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.38
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

diethyl-[3-[2-(4-methylphenyl)imidazo[1,2-a]benzimidazol-3-yl]propyl]azanium
CID 6985044
2-[2-[[4-(diethylamino)phenyl]methylamino]benzimidazol-1-yl]ethyl-diethylazanium
CID 7010805
2-[[[1-[2-(diethylazaniumyl)ethyl]benzimidazol-2-yl]amino]methyl]phenolate
CID 1399055
diethyl-[2-(2-phenylimidazo[1,2-a]benzimidazol-4-yl)ethyl]azanium
CID 7358652
diethyl-[2-[2-[(2-phenoxyacetyl)amino]benzimidazol-1-yl]ethyl]azanium
CID 7423926
2-(2,6-dimethyl-4-oxo-5-phenylpyrimidin-1-yl)ethyl-diethylazanium
CID 7241083
(2S)-4-(2-methylbenzimidazol-1-yl)butan-2-ol
CID 139248448
1-(2,2-dimethylpropyl)-2-methylbenzimidazole
CID 21060284
2-(2-methylbenzimidazol-1-yl)ethanol
CID 761926
1-butyl-2-(1-butylbenzimidazol-2-yl)benzimidazole
CID 4014777
2-methyl-1-(2-methylbenzimidazol-1-yl)propan-2-amine
CID 82144523
1,2,3-trimethylimidazo[1,2-a]benzimidazole
CID 157483248

Frequently Asked Questions

What is the IUPAC name of diethyl-[2-(2-methyl-[1,2,4]triazolo[1,5-a]benzimidazol-3-yl)ethyl]azanium?
The IUPAC name of diethyl-[2-(2-methyl-[1,2,4]triazolo[1,5-a]benzimidazol-3-yl)ethyl]azanium (CID 3610351) is diethyl-[2-(2-methyl-[1,2,4]triazolo[1,5-a]benzimidazol-3-yl)ethyl]azanium.
What is the SMILES notation for diethyl-[2-(2-methyl-[1,2,4]triazolo[1,5-a]benzimidazol-3-yl)ethyl]azanium?
The canonical SMILES for diethyl-[2-(2-methyl-[1,2,4]triazolo[1,5-a]benzimidazol-3-yl)ethyl]azanium is CC[NH+](CC)CCn1c(C)nn2c3ccccc3nc12.
What is the InChIKey of diethyl-[2-(2-methyl-[1,2,4]triazolo[1,5-a]benzimidazol-3-yl)ethyl]azanium?
The InChIKey is BWXPVWCWQDMQGO-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H21N5/c1-4-18(5-2)10-11-19-12(3)17-20-14-9-7-6-8-13(14)16-15(19)20/h6-9H,4-5,10-11H2,1-3H3/p+1.
What are the key properties of diethyl-[2-(2-methyl-[1,2,4]triazolo[1,5-a]benzimidazol-3-yl)ethyl]azanium?
diethyl-[2-(2-methyl-[1,2,4]triazolo[1,5-a]benzimidazol-3-yl)ethyl]azanium has a molecular weight of 272.38 g/mol, XLogP of 0.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-[2-(2-methyl-[1,2,4]triazolo[1,5-a]benzimidazol-3-yl)ethyl]azanium is sourced from PubChem (CID 3610351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).