1-ethyl-4,5-dimethyl-2-(2-methylphenyl)-3-(2,4,6-trimethylphenyl)imidazol-1-ium

C23H29N2+ — CID 123438117

IUPAC1-ethyl-4,5-dimethyl-2-(2-methylphenyl)-3-(2,4,6-trimethylphenyl)imidazol-1-ium
SMILESCC[n+]1c(C)c(C)n(-c2c(C)cc(C)cc2C)c1-c1ccccc1C
InChIInChI=1S/C23H29N2/c1-8-24-19(6)20(7)25(22-17(4)13-15(2)14-18(22)5)23(24)21-12-10-9-11-16(21)3/h9-14H,8H2,1-7H3/q+1
InChIKeyVFRVXPPHWCRTDR-UHFFFAOYSA-N
MW333.50 g/mol
LogP5.30
Rot. Bonds3

About 1-ethyl-4,5-dimethyl-2-(2-methylphenyl)-3-(2,4,6-trimethylphenyl)imidazol-1-ium

1-ethyl-4,5-dimethyl-2-(2-methylphenyl)-3-(2,4,6-trimethylphenyl)imidazol-1-ium (PubChem CID 123438117) has the molecular formula C23H29N2+ and a molecular weight of 333.50 g/mol. Its IUPAC name is 1-ethyl-4,5-dimethyl-2-(2-methylphenyl)-3-(2,4,6-trimethylphenyl)imidazol-1-ium.

Molecular Properties

Compound Name1-ethyl-4,5-dimethyl-2-(2-methylphenyl)-3-(2,4,6-trimethylphenyl)imidazol-1-ium
PubChem CID123438117
Molecular FormulaC23H29N2+
Molecular Weight333.50 g/mol
Exact Mass333.23
IUPAC Name1-ethyl-4,5-dimethyl-2-(2-methylphenyl)-3-(2,4,6-trimethylphenyl)imidazol-1-ium
SMILESCC[n+]1c(C)c(C)n(-c2c(C)cc(C)cc2C)c1-c1ccccc1C
InChIInChI=1S/C23H29N2/c1-8-24-19(6)20(7)25(22-17(4)13-15(2)14-18(22)5)23(24)21-12-10-9-11-16(21)3/h9-14H,8H2,1-7H3/q+1
InChIKeyVFRVXPPHWCRTDR-UHFFFAOYSA-N
XLogP5.30
TPSA8.81 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.50
LogP ≤ 55.30
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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Related Compounds

1-methyl-2-(2-methylphenyl)-3-(2,4,6-trimethylphenyl)-6H-indeno[1,2-e]benzimidazol-1-ium
CID 160742656
1,3-dimethyl-5-(2-methylphenyl)benzene
CID 12639839
CID 59380818
CID 59380818
3-(3,5-dimethylphenyl)-1-(2,6-dimethyl-4-phenylphenyl)-4-methyl-5-(2-methylphenyl)-1,2,4-triazol-4-ium
CID 140855347
butane;1,4-dimethyl-2-(2-methylphenyl)benzene
CID 142975298
3-(2,6-dimethylphenyl)-1-methyl-2-(2-methylphenyl)benzo[e]benzimidazol-1-ium
CID 140708142
1,4-dimethyl-2-(2-methylphenyl)-6-(2,4,5-trimethylphenyl)pyridin-1-ium
CID 140944316
ethene;1-methyl-2-(2-methylphenyl)benzene
CID 145078997
3-butyl-5-(3-methylphenyl)-4-(2,4,6-trimethylphenyl)-1,2,4-triazole
CID 158282021
1-(2,6-dipropylphenyl)-3-methyl-2-(2-methylphenyl)imidazol-3-ium
CID 149275149
CID 160589234
CID 160589234
ethane;1,3,5-tris(2-methylphenyl)benzene
CID 157145659

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4,5-dimethyl-2-(2-methylphenyl)-3-(2,4,6-trimethylphenyl)imidazol-1-ium?
The IUPAC name of 1-ethyl-4,5-dimethyl-2-(2-methylphenyl)-3-(2,4,6-trimethylphenyl)imidazol-1-ium (CID 123438117) is 1-ethyl-4,5-dimethyl-2-(2-methylphenyl)-3-(2,4,6-trimethylphenyl)imidazol-1-ium.
What is the SMILES notation for 1-ethyl-4,5-dimethyl-2-(2-methylphenyl)-3-(2,4,6-trimethylphenyl)imidazol-1-ium?
The canonical SMILES for 1-ethyl-4,5-dimethyl-2-(2-methylphenyl)-3-(2,4,6-trimethylphenyl)imidazol-1-ium is CC[n+]1c(C)c(C)n(-c2c(C)cc(C)cc2C)c1-c1ccccc1C.
What is the InChIKey of 1-ethyl-4,5-dimethyl-2-(2-methylphenyl)-3-(2,4,6-trimethylphenyl)imidazol-1-ium?
The InChIKey is VFRVXPPHWCRTDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N2/c1-8-24-19(6)20(7)25(22-17(4)13-15(2)14-18(22)5)23(24)21-12-10-9-11-16(21)3/h9-14H,8H2,1-7H3/q+1.
What are the key properties of 1-ethyl-4,5-dimethyl-2-(2-methylphenyl)-3-(2,4,6-trimethylphenyl)imidazol-1-ium?
1-ethyl-4,5-dimethyl-2-(2-methylphenyl)-3-(2,4,6-trimethylphenyl)imidazol-1-ium has a molecular weight of 333.50 g/mol, XLogP of 5.30, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4,5-dimethyl-2-(2-methylphenyl)-3-(2,4,6-trimethylphenyl)imidazol-1-ium is sourced from PubChem (CID 123438117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).