1-ethenyl-3-(4-methylphenyl)-2H-imidazole;hydrochloride

C12H15ClN2 — CID 175397918

IUPAC1-ethenyl-3-(4-methylphenyl)-2H-imidazole;hydrochloride
SMILESC=CN1C=CN(c2ccc(C)cc2)C1.Cl
InChIInChI=1S/C12H14N2.ClH/c1-3-13-8-9-14(10-13)12-6-4-11(2)5-7-12;/h3-9H,1,10H2,2H3;1H
InChIKeyMXHCRAAODCDMPZ-UHFFFAOYSA-N
MW222.72 g/mol
LogP3.11
Rot. Bonds2

About 1-ethenyl-3-(4-methylphenyl)-2H-imidazole;hydrochloride

1-ethenyl-3-(4-methylphenyl)-2H-imidazole;hydrochloride (PubChem CID 175397918) has the molecular formula C12H15ClN2 and a molecular weight of 222.72 g/mol. Its IUPAC name is 1-ethenyl-3-(4-methylphenyl)-2H-imidazole;hydrochloride.

Molecular Properties

Compound Name1-ethenyl-3-(4-methylphenyl)-2H-imidazole;hydrochloride
PubChem CID175397918
Molecular FormulaC12H15ClN2
Molecular Weight222.72 g/mol
Exact Mass222.09
IUPAC Name1-ethenyl-3-(4-methylphenyl)-2H-imidazole;hydrochloride
SMILESC=CN1C=CN(c2ccc(C)cc2)C1.Cl
InChIInChI=1S/C12H14N2.ClH/c1-3-13-8-9-14(10-13)12-6-4-11(2)5-7-12;/h3-9H,1,10H2,2H3;1H
InChIKeyMXHCRAAODCDMPZ-UHFFFAOYSA-N
XLogP3.11
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.72
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-3-(4-methylphenyl)-2H-imidazole;hydrochloride?
The IUPAC name of 1-ethenyl-3-(4-methylphenyl)-2H-imidazole;hydrochloride (CID 175397918) is 1-ethenyl-3-(4-methylphenyl)-2H-imidazole;hydrochloride.
What is the SMILES notation for 1-ethenyl-3-(4-methylphenyl)-2H-imidazole;hydrochloride?
The canonical SMILES for 1-ethenyl-3-(4-methylphenyl)-2H-imidazole;hydrochloride is C=CN1C=CN(c2ccc(C)cc2)C1.Cl.
What is the InChIKey of 1-ethenyl-3-(4-methylphenyl)-2H-imidazole;hydrochloride?
The InChIKey is MXHCRAAODCDMPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2.ClH/c1-3-13-8-9-14(10-13)12-6-4-11(2)5-7-12;/h3-9H,1,10H2,2H3;1H.
What are the key properties of 1-ethenyl-3-(4-methylphenyl)-2H-imidazole;hydrochloride?
1-ethenyl-3-(4-methylphenyl)-2H-imidazole;hydrochloride has a molecular weight of 222.72 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-3-(4-methylphenyl)-2H-imidazole;hydrochloride is sourced from PubChem (CID 175397918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).