4-[2-([1,2,4]triazolo[1,5-a]benzimidazol-3-yl)ethyl]morpholine;dihydrochloride

C14H19Cl2N5O — CID 126467944

IUPAC4-[2-([1,2,4]triazolo[1,5-a]benzimidazol-3-yl)ethyl]morpholine;dihydrochloride
SMILESCl.Cl.c1ccc2c(c1)nc1n(CCN3CCOCC3)cnn21
InChIInChI=1S/C14H17N5O.2ClH/c1-2-4-13-12(3-1)16-14-18(11-15-19(13)14)6-5-17-7-9-20-10-8-17;;/h1-4,11H,5-10H2;2*1H
InChIKeyCFTLLECPDPOTIR-UHFFFAOYSA-N
MW344.25 g/mol
LogP1.86
Rot. Bonds3

About 4-[2-([1,2,4]triazolo[1,5-a]benzimidazol-3-yl)ethyl]morpholine;dihydrochloride

4-[2-([1,2,4]triazolo[1,5-a]benzimidazol-3-yl)ethyl]morpholine;dihydrochloride (PubChem CID 126467944) has the molecular formula C14H19Cl2N5O and a molecular weight of 344.25 g/mol. Its IUPAC name is 4-[2-([1,2,4]triazolo[1,5-a]benzimidazol-3-yl)ethyl]morpholine;dihydrochloride.

Molecular Properties

Compound Name4-[2-([1,2,4]triazolo[1,5-a]benzimidazol-3-yl)ethyl]morpholine;dihydrochloride
PubChem CID126467944
Molecular FormulaC14H19Cl2N5O
Molecular Weight344.25 g/mol
Exact Mass343.10
IUPAC Name4-[2-([1,2,4]triazolo[1,5-a]benzimidazol-3-yl)ethyl]morpholine;dihydrochloride
SMILESCl.Cl.c1ccc2c(c1)nc1n(CCN3CCOCC3)cnn21
InChIInChI=1S/C14H17N5O.2ClH/c1-2-4-13-12(3-1)16-14-18(11-15-19(13)14)6-5-17-7-9-20-10-8-17;;/h1-4,11H,5-10H2;2*1H
InChIKeyCFTLLECPDPOTIR-UHFFFAOYSA-N
XLogP1.86
TPSA47.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.25
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2-piperidin-1-ylethyl)-[1,2,4]triazolo[1,5-a]benzimidazole;dihydrochloride
CID 126467933
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
4-[2-(2-phenylimidazo[1,2-a]benzimidazol-3-yl)ethyl]morpholine
CID 749145
N-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
CID 5309921
1-ethyl-N-(2-morpholin-4-ylethyl)benzimidazol-2-amine;dihydrochloride
CID 44888954
4-[3-[2-(chloromethyl)benzimidazol-1-yl]propyl]morpholine
CID 43348277
4-[(2-methylbenzimidazol-1-yl)methyl]morpholine
CID 3600029
1-(2-morpholin-4-ylethyl)-N-[(3,4,5-trimethoxyphenyl)methyl]benzimidazol-2-amine;hydrochloride
CID 171700310
4-[2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-1-yl)ethyl]morpholine;1-(2-piperidin-1-ylethyl)-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole
CID 157491856
2-hydroxy-1-(2-morpholin-4-ylethyl)-3-phenylpyrimido[1,2-a]benzimidazol-4-one
CID 4901820
4-[2-[2-[(2S)-2-(4-methylpiperazin-1-yl)propyl]benzimidazol-1-yl]ethyl]morpholine
CID 164835741

Frequently Asked Questions

What is the IUPAC name of 4-[2-([1,2,4]triazolo[1,5-a]benzimidazol-3-yl)ethyl]morpholine;dihydrochloride?
The IUPAC name of 4-[2-([1,2,4]triazolo[1,5-a]benzimidazol-3-yl)ethyl]morpholine;dihydrochloride (CID 126467944) is 4-[2-([1,2,4]triazolo[1,5-a]benzimidazol-3-yl)ethyl]morpholine;dihydrochloride.
What is the SMILES notation for 4-[2-([1,2,4]triazolo[1,5-a]benzimidazol-3-yl)ethyl]morpholine;dihydrochloride?
The canonical SMILES for 4-[2-([1,2,4]triazolo[1,5-a]benzimidazol-3-yl)ethyl]morpholine;dihydrochloride is Cl.Cl.c1ccc2c(c1)nc1n(CCN3CCOCC3)cnn21.
What is the InChIKey of 4-[2-([1,2,4]triazolo[1,5-a]benzimidazol-3-yl)ethyl]morpholine;dihydrochloride?
The InChIKey is CFTLLECPDPOTIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O.2ClH/c1-2-4-13-12(3-1)16-14-18(11-15-19(13)14)6-5-17-7-9-20-10-8-17;;/h1-4,11H,5-10H2;2*1H.
What are the key properties of 4-[2-([1,2,4]triazolo[1,5-a]benzimidazol-3-yl)ethyl]morpholine;dihydrochloride?
4-[2-([1,2,4]triazolo[1,5-a]benzimidazol-3-yl)ethyl]morpholine;dihydrochloride has a molecular weight of 344.25 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-([1,2,4]triazolo[1,5-a]benzimidazol-3-yl)ethyl]morpholine;dihydrochloride is sourced from PubChem (CID 126467944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).