1-methyl-3-(2-methylprop-2-enyl)-4,5-diphenylimidazol-1-ium

C20H21N2+ — CID 2345786

IUPAC1-methyl-3-(2-methylprop-2-enyl)-4,5-diphenylimidazol-1-ium
SMILESC=C(C)Cn1c[n+](C)c(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C20H21N2/c1-16(2)14-22-15-21(3)19(17-10-6-4-7-11-17)20(22)18-12-8-5-9-13-18/h4-13,15H,1,14H2,2-3H3/q+1
InChIKeyFWYVHGBCAKSHEP-UHFFFAOYSA-N
MW289.40 g/mol
LogP4.22
Rot. Bonds4

About 1-methyl-3-(2-methylprop-2-enyl)-4,5-diphenylimidazol-1-ium

1-methyl-3-(2-methylprop-2-enyl)-4,5-diphenylimidazol-1-ium (PubChem CID 2345786) has the molecular formula C20H21N2+ and a molecular weight of 289.40 g/mol. Its IUPAC name is 1-methyl-3-(2-methylprop-2-enyl)-4,5-diphenylimidazol-1-ium.

Molecular Properties

Compound Name1-methyl-3-(2-methylprop-2-enyl)-4,5-diphenylimidazol-1-ium
PubChem CID2345786
Molecular FormulaC20H21N2+
Molecular Weight289.40 g/mol
Exact Mass289.17
IUPAC Name1-methyl-3-(2-methylprop-2-enyl)-4,5-diphenylimidazol-1-ium
SMILESC=C(C)Cn1c[n+](C)c(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C20H21N2/c1-16(2)14-22-15-21(3)19(17-10-6-4-7-11-17)20(22)18-12-8-5-9-13-18/h4-13,15H,1,14H2,2-3H3/q+1
InChIKeyFWYVHGBCAKSHEP-UHFFFAOYSA-N
XLogP4.22
TPSA8.81 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', '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-methylprop-2-enyl)-4,5-diphenylimidazol-1-ium?
The IUPAC name of 1-methyl-3-(2-methylprop-2-enyl)-4,5-diphenylimidazol-1-ium (CID 2345786) is 1-methyl-3-(2-methylprop-2-enyl)-4,5-diphenylimidazol-1-ium.
What is the SMILES notation for 1-methyl-3-(2-methylprop-2-enyl)-4,5-diphenylimidazol-1-ium?
The canonical SMILES for 1-methyl-3-(2-methylprop-2-enyl)-4,5-diphenylimidazol-1-ium is C=C(C)Cn1c[n+](C)c(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of 1-methyl-3-(2-methylprop-2-enyl)-4,5-diphenylimidazol-1-ium?
The InChIKey is FWYVHGBCAKSHEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N2/c1-16(2)14-22-15-21(3)19(17-10-6-4-7-11-17)20(22)18-12-8-5-9-13-18/h4-13,15H,1,14H2,2-3H3/q+1.
What are the key properties of 1-methyl-3-(2-methylprop-2-enyl)-4,5-diphenylimidazol-1-ium?
1-methyl-3-(2-methylprop-2-enyl)-4,5-diphenylimidazol-1-ium has a molecular weight of 289.40 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(2-methylprop-2-enyl)-4,5-diphenylimidazol-1-ium is sourced from PubChem (CID 2345786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).