2-ethenyl-4,5-dihydro-1H-imidazol-1-ium chloride

C5H9ClN2 — CID 18997726

IUPAC2-ethenyl-4,5-dihydro-1H-imidazol-1-ium chloride
SMILESC=CC1=NCC[NH2+]1.[Cl-]
InChIInChI=1S/C5H8N2.ClH/c1-2-5-6-3-4-7-5;/h2H,1,3-4H2,(H,6,7);1H
InChIKeyFWILCLQEYMKQGO-UHFFFAOYSA-N
MW132.59 g/mol
LogP-3.85
Rot. Bonds1

About 2-ethenyl-4,5-dihydro-1H-imidazol-1-ium chloride

2-ethenyl-4,5-dihydro-1H-imidazol-1-ium chloride (PubChem CID 18997726) has the molecular formula C5H9ClN2 and a molecular weight of 132.59 g/mol. Its IUPAC name is 2-ethenyl-4,5-dihydro-1H-imidazol-1-ium chloride.

Molecular Properties

Compound Name2-ethenyl-4,5-dihydro-1H-imidazol-1-ium chloride
PubChem CID18997726
Molecular FormulaC5H9ClN2
Molecular Weight132.59 g/mol
Exact Mass132.05
IUPAC Name2-ethenyl-4,5-dihydro-1H-imidazol-1-ium chloride
SMILESC=CC1=NCC[NH2+]1.[Cl-]
InChIInChI=1S/C5H8N2.ClH/c1-2-5-6-3-4-7-5;/h2H,1,3-4H2,(H,6,7);1H
InChIKeyFWILCLQEYMKQGO-UHFFFAOYSA-N
XLogP-3.85
TPSA28.97 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 ≤ 5-3.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-4,5-dihydro-1H-imidazol-1-ium chloride?
The IUPAC name of 2-ethenyl-4,5-dihydro-1H-imidazol-1-ium chloride (CID 18997726) is 2-ethenyl-4,5-dihydro-1H-imidazol-1-ium chloride.
What is the SMILES notation for 2-ethenyl-4,5-dihydro-1H-imidazol-1-ium chloride?
The canonical SMILES for 2-ethenyl-4,5-dihydro-1H-imidazol-1-ium chloride is C=CC1=NCC[NH2+]1.[Cl-].
What is the InChIKey of 2-ethenyl-4,5-dihydro-1H-imidazol-1-ium chloride?
The InChIKey is FWILCLQEYMKQGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2.ClH/c1-2-5-6-3-4-7-5;/h2H,1,3-4H2,(H,6,7);1H.
What are the key properties of 2-ethenyl-4,5-dihydro-1H-imidazol-1-ium chloride?
2-ethenyl-4,5-dihydro-1H-imidazol-1-ium chloride has a molecular weight of 132.59 g/mol, XLogP of -3.85, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-4,5-dihydro-1H-imidazol-1-ium chloride is sourced from PubChem (CID 18997726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).