1-ethyl-1H-imidazol-1-ium chloride

C5H9ClN2 — CID 19979778

IUPAC1-ethyl-1H-imidazol-1-ium chloride
SMILESCC[NH+]1C=CN=C1.[Cl-]
InChIInChI=1S/C5H8N2.ClH/c1-2-7-4-3-6-5-7;/h3-5H,2H2,1H3;1H
InChIKeyABDVJABGTGHCPI-UHFFFAOYSA-N
MW132.59 g/mol
LogP-3.59
Rot. Bonds1

About 1-ethyl-1H-imidazol-1-ium chloride

1-ethyl-1H-imidazol-1-ium chloride (PubChem CID 19979778) has the molecular formula C5H9ClN2 and a molecular weight of 132.59 g/mol. Its IUPAC name is 1-ethyl-1H-imidazol-1-ium chloride.

Molecular Properties

Compound Name1-ethyl-1H-imidazol-1-ium chloride
PubChem CID19979778
Molecular FormulaC5H9ClN2
Molecular Weight132.59 g/mol
Exact Mass132.05
IUPAC Name1-ethyl-1H-imidazol-1-ium chloride
SMILESCC[NH+]1C=CN=C1.[Cl-]
InChIInChI=1S/C5H8N2.ClH/c1-2-7-4-3-6-5-7;/h3-5H,2H2,1H3;1H
InChIKeyABDVJABGTGHCPI-UHFFFAOYSA-N
XLogP-3.59
TPSA16.80 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.59
LogP ≤ 5-3.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1H-imidazol-1-ium chloride?
The IUPAC name of 1-ethyl-1H-imidazol-1-ium chloride (CID 19979778) is 1-ethyl-1H-imidazol-1-ium chloride.
What is the SMILES notation for 1-ethyl-1H-imidazol-1-ium chloride?
The canonical SMILES for 1-ethyl-1H-imidazol-1-ium chloride is CC[NH+]1C=CN=C1.[Cl-].
What is the InChIKey of 1-ethyl-1H-imidazol-1-ium chloride?
The InChIKey is ABDVJABGTGHCPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2.ClH/c1-2-7-4-3-6-5-7;/h3-5H,2H2,1H3;1H.
What are the key properties of 1-ethyl-1H-imidazol-1-ium chloride?
1-ethyl-1H-imidazol-1-ium chloride has a molecular weight of 132.59 g/mol, XLogP of -3.59, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1H-imidazol-1-ium chloride is sourced from PubChem (CID 19979778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).