1-methyl-3-(2,4,6-trimethylphenyl)-2H-imidazol-3-ium-2-ide

C13H16N2 — CID 24798960

IUPAC1-methyl-3-(2,4,6-trimethylphenyl)-2H-imidazol-3-ium-2-ide
SMILESCc1cc(C)c(-[n+]2[c-]n(C)cc2)c(C)c1
InChIInChI=1S/C13H16N2/c1-10-7-11(2)13(12(3)8-10)15-6-5-14(4)9-15/h5-8H,1-4H3
InChIKeyZCPWZUGSUPGMLC-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.03
Rot. Bonds1

About 1-methyl-3-(2,4,6-trimethylphenyl)-2H-imidazol-3-ium-2-ide

1-methyl-3-(2,4,6-trimethylphenyl)-2H-imidazol-3-ium-2-ide (PubChem CID 24798960) has the molecular formula C13H16N2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 1-methyl-3-(2,4,6-trimethylphenyl)-2H-imidazol-3-ium-2-ide.

Molecular Properties

Compound Name1-methyl-3-(2,4,6-trimethylphenyl)-2H-imidazol-3-ium-2-ide
PubChem CID24798960
Molecular FormulaC13H16N2
Molecular Weight200.28 g/mol
Exact Mass200.13
IUPAC Name1-methyl-3-(2,4,6-trimethylphenyl)-2H-imidazol-3-ium-2-ide
SMILESCc1cc(C)c(-[n+]2[c-]n(C)cc2)c(C)c1
InChIInChI=1S/C13H16N2/c1-10-7-11(2)13(12(3)8-10)15-6-5-14(4)9-15/h5-8H,1-4H3
InChIKeyZCPWZUGSUPGMLC-UHFFFAOYSA-N
XLogP2.03
TPSA8.81 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(2,4,6-trimethylphenyl)-2H-imidazol-3-ium-2-ide?
The IUPAC name of 1-methyl-3-(2,4,6-trimethylphenyl)-2H-imidazol-3-ium-2-ide (CID 24798960) is 1-methyl-3-(2,4,6-trimethylphenyl)-2H-imidazol-3-ium-2-ide.
What is the SMILES notation for 1-methyl-3-(2,4,6-trimethylphenyl)-2H-imidazol-3-ium-2-ide?
The canonical SMILES for 1-methyl-3-(2,4,6-trimethylphenyl)-2H-imidazol-3-ium-2-ide is Cc1cc(C)c(-[n+]2[c-]n(C)cc2)c(C)c1.
What is the InChIKey of 1-methyl-3-(2,4,6-trimethylphenyl)-2H-imidazol-3-ium-2-ide?
The InChIKey is ZCPWZUGSUPGMLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2/c1-10-7-11(2)13(12(3)8-10)15-6-5-14(4)9-15/h5-8H,1-4H3.
What are the key properties of 1-methyl-3-(2,4,6-trimethylphenyl)-2H-imidazol-3-ium-2-ide?
1-methyl-3-(2,4,6-trimethylphenyl)-2H-imidazol-3-ium-2-ide has a molecular weight of 200.28 g/mol, XLogP of 2.03, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(2,4,6-trimethylphenyl)-2H-imidazol-3-ium-2-ide is sourced from PubChem (CID 24798960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).