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

C5H11Cl2N3 — CID 5818

IUPAC2-(1H-imidazol-5-yl)ethanamine;dihydrochloride
SMILESCl.Cl.NCCc1cnc[nH]1
InChIInChI=1S/C5H9N3.2ClH/c6-2-1-5-3-7-4-8-5;;/h3-4H,1-2,6H2,(H,7,8);2*1H
InChIKeyPPZMYIBUHIPZOS-UHFFFAOYSA-N
MW184.07 g/mol
LogP0.75
Rot. Bonds2

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

2-(1H-imidazol-5-yl)ethanamine;dihydrochloride (PubChem CID 5818) has the molecular formula C5H11Cl2N3 and a molecular weight of 184.07 g/mol. Its IUPAC name is 2-(1H-imidazol-5-yl)ethanamine;dihydrochloride.

Molecular Properties

Compound Name2-(1H-imidazol-5-yl)ethanamine;dihydrochloride
PubChem CID5818
Molecular FormulaC5H11Cl2N3
Molecular Weight184.07 g/mol
Exact Mass183.03
IUPAC Name2-(1H-imidazol-5-yl)ethanamine;dihydrochloride
SMILESCl.Cl.NCCc1cnc[nH]1
InChIInChI=1S/C5H9N3.2ClH/c6-2-1-5-3-7-4-8-5;;/h3-4H,1-2,6H2,(H,7,8);2*1H
InChIKeyPPZMYIBUHIPZOS-UHFFFAOYSA-N
XLogP0.75
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.07
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-5-yl)ethanamine;dihydrochloride?
The IUPAC name of 2-(1H-imidazol-5-yl)ethanamine;dihydrochloride (CID 5818) is 2-(1H-imidazol-5-yl)ethanamine;dihydrochloride.
What is the SMILES notation for 2-(1H-imidazol-5-yl)ethanamine;dihydrochloride?
The canonical SMILES for 2-(1H-imidazol-5-yl)ethanamine;dihydrochloride is Cl.Cl.NCCc1cnc[nH]1.
What is the InChIKey of 2-(1H-imidazol-5-yl)ethanamine;dihydrochloride?
The InChIKey is PPZMYIBUHIPZOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3.2ClH/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;dihydrochloride?
2-(1H-imidazol-5-yl)ethanamine;dihydrochloride has a molecular weight of 184.07 g/mol, XLogP of 0.75, 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;dihydrochloride is sourced from PubChem (CID 5818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).