1,2-dimethyl-3-(2-methylphenyl)-1-(trideuteriomethyl)imidazo[1,2-a]benzimidazol-3-ium

C19H20N3+ — CID 161059492

IUPAC1,2-dimethyl-3-(2-methylphenyl)-1-(trideuteriomethyl)imidazo[1,2-a]benzimidazol-3-ium
SMILES[2H]C([2H])([2H])C1(C)C(C)=[N+](c2ccccc2C)c2nc3ccccc3n21
InChIInChI=1S/C19H20N3/c1-13-9-5-7-11-16(13)21-14(2)19(3,4)22-17-12-8-6-10-15(17)20-18(21)22/h5-12H,1-4H3/q+1/i3D3
InChIKeyAIOZDLBBPBHEMA-HPRDVNIFSA-N
MW293.41 g/mol
LogP4.39
Rot. Bonds2

About 1,2-dimethyl-3-(2-methylphenyl)-1-(trideuteriomethyl)imidazo[1,2-a]benzimidazol-3-ium

1,2-dimethyl-3-(2-methylphenyl)-1-(trideuteriomethyl)imidazo[1,2-a]benzimidazol-3-ium (PubChem CID 161059492) has the molecular formula C19H20N3+ and a molecular weight of 293.41 g/mol. Its IUPAC name is 1,2-dimethyl-3-(2-methylphenyl)-1-(trideuteriomethyl)imidazo[1,2-a]benzimidazol-3-ium.

Molecular Properties

Compound Name1,2-dimethyl-3-(2-methylphenyl)-1-(trideuteriomethyl)imidazo[1,2-a]benzimidazol-3-ium
PubChem CID161059492
Molecular FormulaC19H20N3+
Molecular Weight293.41 g/mol
Exact Mass293.18
IUPAC Name1,2-dimethyl-3-(2-methylphenyl)-1-(trideuteriomethyl)imidazo[1,2-a]benzimidazol-3-ium
SMILES[2H]C([2H])([2H])C1(C)C(C)=[N+](c2ccccc2C)c2nc3ccccc3n21
InChIInChI=1S/C19H20N3/c1-13-9-5-7-11-16(13)21-14(2)19(3,4)22-17-12-8-6-10-15(17)20-18(21)22/h5-12H,1-4H3/q+1/i3D3
InChIKeyAIOZDLBBPBHEMA-HPRDVNIFSA-N
XLogP4.39
TPSA20.83 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-3-(2-methylphenyl)-1-(trideuteriomethyl)imidazo[1,2-a]benzimidazol-3-ium?
The IUPAC name of 1,2-dimethyl-3-(2-methylphenyl)-1-(trideuteriomethyl)imidazo[1,2-a]benzimidazol-3-ium (CID 161059492) is 1,2-dimethyl-3-(2-methylphenyl)-1-(trideuteriomethyl)imidazo[1,2-a]benzimidazol-3-ium.
What is the SMILES notation for 1,2-dimethyl-3-(2-methylphenyl)-1-(trideuteriomethyl)imidazo[1,2-a]benzimidazol-3-ium?
The canonical SMILES for 1,2-dimethyl-3-(2-methylphenyl)-1-(trideuteriomethyl)imidazo[1,2-a]benzimidazol-3-ium is [2H]C([2H])([2H])C1(C)C(C)=[N+](c2ccccc2C)c2nc3ccccc3n21.
What is the InChIKey of 1,2-dimethyl-3-(2-methylphenyl)-1-(trideuteriomethyl)imidazo[1,2-a]benzimidazol-3-ium?
The InChIKey is AIOZDLBBPBHEMA-HPRDVNIFSA-N. The full InChI is InChI=1S/C19H20N3/c1-13-9-5-7-11-16(13)21-14(2)19(3,4)22-17-12-8-6-10-15(17)20-18(21)22/h5-12H,1-4H3/q+1/i3D3.
What are the key properties of 1,2-dimethyl-3-(2-methylphenyl)-1-(trideuteriomethyl)imidazo[1,2-a]benzimidazol-3-ium?
1,2-dimethyl-3-(2-methylphenyl)-1-(trideuteriomethyl)imidazo[1,2-a]benzimidazol-3-ium has a molecular weight of 293.41 g/mol, XLogP of 4.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-3-(2-methylphenyl)-1-(trideuteriomethyl)imidazo[1,2-a]benzimidazol-3-ium is sourced from PubChem (CID 161059492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).