tris(1-ethenyl-1H-imidazol-1-ium);trichloride

C15H21Cl3N6 — CID 68668652

IUPACtris(1-ethenyl-1H-imidazol-1-ium);trichloride
SMILESC=C[NH+]1C=CN=C1.C=C[NH+]1C=CN=C1.C=C[NH+]1C=CN=C1.[Cl-].[Cl-].[Cl-]
InChIInChI=1S/3C5H6N2.3ClH/c3*1-2-7-4-3-6-5-7;;;/h3*2-5H,1H2;3*1H
InChIKeyNNOKXWHHOOMPPR-UHFFFAOYSA-N
MW391.73 g/mol
LogP-10.40
Rot. Bonds3

About tris(1-ethenyl-1H-imidazol-1-ium);trichloride

tris(1-ethenyl-1H-imidazol-1-ium);trichloride (PubChem CID 68668652) has the molecular formula C15H21Cl3N6 and a molecular weight of 391.73 g/mol. Its IUPAC name is tris(1-ethenyl-1H-imidazol-1-ium);trichloride.

Molecular Properties

Compound Nametris(1-ethenyl-1H-imidazol-1-ium);trichloride
PubChem CID68668652
Molecular FormulaC15H21Cl3N6
Molecular Weight391.73 g/mol
Exact Mass390.09
IUPAC Nametris(1-ethenyl-1H-imidazol-1-ium);trichloride
SMILESC=C[NH+]1C=CN=C1.C=C[NH+]1C=CN=C1.C=C[NH+]1C=CN=C1.[Cl-].[Cl-].[Cl-]
InChIInChI=1S/3C5H6N2.3ClH/c3*1-2-7-4-3-6-5-7;;;/h3*2-5H,1H2;3*1H
InChIKeyNNOKXWHHOOMPPR-UHFFFAOYSA-N
XLogP-10.40
TPSA50.40 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.73
LogP ≤ 5-10.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tris(1-ethenyl-1H-imidazol-1-ium);trichloride?
The IUPAC name of tris(1-ethenyl-1H-imidazol-1-ium);trichloride (CID 68668652) is tris(1-ethenyl-1H-imidazol-1-ium);trichloride.
What is the SMILES notation for tris(1-ethenyl-1H-imidazol-1-ium);trichloride?
The canonical SMILES for tris(1-ethenyl-1H-imidazol-1-ium);trichloride is C=C[NH+]1C=CN=C1.C=C[NH+]1C=CN=C1.C=C[NH+]1C=CN=C1.[Cl-].[Cl-].[Cl-].
What is the InChIKey of tris(1-ethenyl-1H-imidazol-1-ium);trichloride?
The InChIKey is NNOKXWHHOOMPPR-UHFFFAOYSA-N. The full InChI is InChI=1S/3C5H6N2.3ClH/c3*1-2-7-4-3-6-5-7;;;/h3*2-5H,1H2;3*1H.
What are the key properties of tris(1-ethenyl-1H-imidazol-1-ium);trichloride?
tris(1-ethenyl-1H-imidazol-1-ium);trichloride has a molecular weight of 391.73 g/mol, XLogP of -10.40, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris(1-ethenyl-1H-imidazol-1-ium);trichloride is sourced from PubChem (CID 68668652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).