1-ethenyl-2,3-dimethyl-4,5-dihydroimidazol-3-ium chloride

C7H13ClN2 — CID 22011674

IUPAC1-ethenyl-2,3-dimethyl-4,5-dihydroimidazol-3-ium chloride
SMILESC=CN1CC[N+](C)=C1C.[Cl-]
InChIInChI=1S/C7H13N2.ClH/c1-4-9-6-5-8(3)7(9)2;/h4H,1,5-6H2,2-3H3;1H/q+1;/p-1
InChIKeyQZHDVBKGSOAMHR-UHFFFAOYSA-M
MW160.65 g/mol
LogP-2.49
Rot. Bonds1

About 1-ethenyl-2,3-dimethyl-4,5-dihydroimidazol-3-ium chloride

1-ethenyl-2,3-dimethyl-4,5-dihydroimidazol-3-ium chloride (PubChem CID 22011674) has the molecular formula C7H13ClN2 and a molecular weight of 160.65 g/mol. Its IUPAC name is 1-ethenyl-2,3-dimethyl-4,5-dihydroimidazol-3-ium chloride.

Molecular Properties

Compound Name1-ethenyl-2,3-dimethyl-4,5-dihydroimidazol-3-ium chloride
PubChem CID22011674
Molecular FormulaC7H13ClN2
Molecular Weight160.65 g/mol
Exact Mass160.08
IUPAC Name1-ethenyl-2,3-dimethyl-4,5-dihydroimidazol-3-ium chloride
SMILESC=CN1CC[N+](C)=C1C.[Cl-]
InChIInChI=1S/C7H13N2.ClH/c1-4-9-6-5-8(3)7(9)2;/h4H,1,5-6H2,2-3H3;1H/q+1;/p-1
InChIKeyQZHDVBKGSOAMHR-UHFFFAOYSA-M
XLogP-2.49
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.65
LogP ≤ 5-2.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-2,3-dimethyl-4,5-dihydroimidazol-3-ium chloride?
The IUPAC name of 1-ethenyl-2,3-dimethyl-4,5-dihydroimidazol-3-ium chloride (CID 22011674) is 1-ethenyl-2,3-dimethyl-4,5-dihydroimidazol-3-ium chloride.
What is the SMILES notation for 1-ethenyl-2,3-dimethyl-4,5-dihydroimidazol-3-ium chloride?
The canonical SMILES for 1-ethenyl-2,3-dimethyl-4,5-dihydroimidazol-3-ium chloride is C=CN1CC[N+](C)=C1C.[Cl-].
What is the InChIKey of 1-ethenyl-2,3-dimethyl-4,5-dihydroimidazol-3-ium chloride?
The InChIKey is QZHDVBKGSOAMHR-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H13N2.ClH/c1-4-9-6-5-8(3)7(9)2;/h4H,1,5-6H2,2-3H3;1H/q+1;/p-1.
What are the key properties of 1-ethenyl-2,3-dimethyl-4,5-dihydroimidazol-3-ium chloride?
1-ethenyl-2,3-dimethyl-4,5-dihydroimidazol-3-ium chloride has a molecular weight of 160.65 g/mol, XLogP of -2.49, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-2,3-dimethyl-4,5-dihydroimidazol-3-ium chloride is sourced from PubChem (CID 22011674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).