2-(1H-imidazol-5-yl)ethanamine;dihydrofluoride

C5H11F2N3 — CID 67652425

IUPAC2-(1H-imidazol-5-yl)ethanamine;dihydrofluoride
SMILESF.F.NCCc1cnc[nH]1
InChIInChI=1S/C5H9N3.2FH/c6-2-1-5-3-7-4-8-5;;/h3-4H,1-2,6H2,(H,7,8);2*1H
InChIKeyQWFORLAFCIHLBX-UHFFFAOYSA-N
MW151.16 g/mol
LogP0.22
Rot. Bonds2

About 2-(1H-imidazol-5-yl)ethanamine;dihydrofluoride

2-(1H-imidazol-5-yl)ethanamine;dihydrofluoride (PubChem CID 67652425) has the molecular formula C5H11F2N3 and a molecular weight of 151.16 g/mol. Its IUPAC name is 2-(1H-imidazol-5-yl)ethanamine;dihydrofluoride.

Molecular Properties

Compound Name2-(1H-imidazol-5-yl)ethanamine;dihydrofluoride
PubChem CID67652425
Molecular FormulaC5H11F2N3
Molecular Weight151.16 g/mol
Exact Mass151.09
IUPAC Name2-(1H-imidazol-5-yl)ethanamine;dihydrofluoride
SMILESF.F.NCCc1cnc[nH]1
InChIInChI=1S/C5H9N3.2FH/c6-2-1-5-3-7-4-8-5;;/h3-4H,1-2,6H2,(H,7,8);2*1H
InChIKeyQWFORLAFCIHLBX-UHFFFAOYSA-N
XLogP0.22
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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acetaldehyde;1H-imidazole;2-(1H-imidazol-5-yl)ethanamine
CID 88937716
5-(2-methylsulfanylethyl)-1H-imidazole
CID 141211352
2-amino-4-methylpentanoic acid;2-(1H-imidazol-5-yl)ethanamine
CID 174496093
2-(1H-imidazol-5-yl)ethanol;molecular hydrogen
CID 168881125
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Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-5-yl)ethanamine;dihydrofluoride?
The IUPAC name of 2-(1H-imidazol-5-yl)ethanamine;dihydrofluoride (CID 67652425) is 2-(1H-imidazol-5-yl)ethanamine;dihydrofluoride.
What is the SMILES notation for 2-(1H-imidazol-5-yl)ethanamine;dihydrofluoride?
The canonical SMILES for 2-(1H-imidazol-5-yl)ethanamine;dihydrofluoride is F.F.NCCc1cnc[nH]1.
What is the InChIKey of 2-(1H-imidazol-5-yl)ethanamine;dihydrofluoride?
The InChIKey is QWFORLAFCIHLBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3.2FH/c6-2-1-5-3-7-4-8-5;;/h3-4H,1-2,6H2,(H,7,8);2*1H.
What are the key properties of 2-(1H-imidazol-5-yl)ethanamine;dihydrofluoride?
2-(1H-imidazol-5-yl)ethanamine;dihydrofluoride has a molecular weight of 151.16 g/mol, XLogP of 0.22, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-5-yl)ethanamine;dihydrofluoride is sourced from PubChem (CID 67652425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).