2-(1-chloroethenyl)-1-ethenyl-4,5-dimethylimidazole

C9H11ClN2 — CID 145385885

IUPAC2-(1-chloroethenyl)-1-ethenyl-4,5-dimethylimidazole
SMILESC=Cn1c(C(=C)Cl)nc(C)c1C
InChIInChI=1S/C9H11ClN2/c1-5-12-8(4)7(3)11-9(12)6(2)10/h5H,1-2H2,3-4H3
InChIKeyQTNKBNKPXHDCOL-UHFFFAOYSA-N
MW182.65 g/mol
LogP2.81
Rot. Bonds2

About 2-(1-chloroethenyl)-1-ethenyl-4,5-dimethylimidazole

2-(1-chloroethenyl)-1-ethenyl-4,5-dimethylimidazole (PubChem CID 145385885) has the molecular formula C9H11ClN2 and a molecular weight of 182.65 g/mol. Its IUPAC name is 2-(1-chloroethenyl)-1-ethenyl-4,5-dimethylimidazole.

Molecular Properties

Compound Name2-(1-chloroethenyl)-1-ethenyl-4,5-dimethylimidazole
PubChem CID145385885
Molecular FormulaC9H11ClN2
Molecular Weight182.65 g/mol
Exact Mass182.06
IUPAC Name2-(1-chloroethenyl)-1-ethenyl-4,5-dimethylimidazole
SMILESC=Cn1c(C(=C)Cl)nc(C)c1C
InChIInChI=1S/C9H11ClN2/c1-5-12-8(4)7(3)11-9(12)6(2)10/h5H,1-2H2,3-4H3
InChIKeyQTNKBNKPXHDCOL-UHFFFAOYSA-N
XLogP2.81
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.65
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-chloroethenyl)-1-ethenyl-4,5-dimethylimidazole?
The IUPAC name of 2-(1-chloroethenyl)-1-ethenyl-4,5-dimethylimidazole (CID 145385885) is 2-(1-chloroethenyl)-1-ethenyl-4,5-dimethylimidazole.
What is the SMILES notation for 2-(1-chloroethenyl)-1-ethenyl-4,5-dimethylimidazole?
The canonical SMILES for 2-(1-chloroethenyl)-1-ethenyl-4,5-dimethylimidazole is C=Cn1c(C(=C)Cl)nc(C)c1C.
What is the InChIKey of 2-(1-chloroethenyl)-1-ethenyl-4,5-dimethylimidazole?
The InChIKey is QTNKBNKPXHDCOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2/c1-5-12-8(4)7(3)11-9(12)6(2)10/h5H,1-2H2,3-4H3.
What are the key properties of 2-(1-chloroethenyl)-1-ethenyl-4,5-dimethylimidazole?
2-(1-chloroethenyl)-1-ethenyl-4,5-dimethylimidazole has a molecular weight of 182.65 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chloroethenyl)-1-ethenyl-4,5-dimethylimidazole is sourced from PubChem (CID 145385885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).