7-methyl-6-[1,3,5-trimethyl-6-(2-methylphenyl)pyridin-1-ium-2-yl]imidazo[1,2-a]imidazole

C21H23N4+ — CID 140944429

IUPAC7-methyl-6-[1,3,5-trimethyl-6-(2-methylphenyl)pyridin-1-ium-2-yl]imidazo[1,2-a]imidazole
SMILESCc1ccccc1-c1c(C)cc(C)c(-c2cn3ccnc3n2C)[n+]1C
InChIInChI=1S/C21H23N4/c1-14-8-6-7-9-17(14)19-15(2)12-16(3)20(24(19)5)18-13-25-11-10-22-21(25)23(18)4/h6-13H,1-5H3/q+1
InChIKeyDYSONXNUEZRSAM-UHFFFAOYSA-N
MW331.44 g/mol
LogP3.76
Rot. Bonds2

About 7-methyl-6-[1,3,5-trimethyl-6-(2-methylphenyl)pyridin-1-ium-2-yl]imidazo[1,2-a]imidazole

7-methyl-6-[1,3,5-trimethyl-6-(2-methylphenyl)pyridin-1-ium-2-yl]imidazo[1,2-a]imidazole (PubChem CID 140944429) has the molecular formula C21H23N4+ and a molecular weight of 331.44 g/mol. Its IUPAC name is 7-methyl-6-[1,3,5-trimethyl-6-(2-methylphenyl)pyridin-1-ium-2-yl]imidazo[1,2-a]imidazole.

Molecular Properties

Compound Name7-methyl-6-[1,3,5-trimethyl-6-(2-methylphenyl)pyridin-1-ium-2-yl]imidazo[1,2-a]imidazole
PubChem CID140944429
Molecular FormulaC21H23N4+
Molecular Weight331.44 g/mol
Exact Mass331.19
IUPAC Name7-methyl-6-[1,3,5-trimethyl-6-(2-methylphenyl)pyridin-1-ium-2-yl]imidazo[1,2-a]imidazole
SMILESCc1ccccc1-c1c(C)cc(C)c(-c2cn3ccnc3n2C)[n+]1C
InChIInChI=1S/C21H23N4/c1-14-8-6-7-9-17(14)19-15(2)12-16(3)20(24(19)5)18-13-25-11-10-22-21(25)23(18)4/h6-13H,1-5H3/q+1
InChIKeyDYSONXNUEZRSAM-UHFFFAOYSA-N
XLogP3.76
TPSA26.11 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,3,5-trimethyl-2-(2-methylphenyl)-6-(2,4,5-trimethylphenyl)pyridin-1-ium
CID 140944401
1,3,5-trimethyl-2-(2-methylphenyl)-6-(1,4,5-trimethylpyridin-1-ium-2-yl)pyridin-1-ium
CID 140944348
6-(2-methylphenyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 90178615
2-[6-[1,5-dimethyl-4-(trideuteriomethyl)pyridin-1-ium-2-yl]-1,3-dimethyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-3-methylimidazo[1,2-a]benzimidazole
CID 157255806
N-methyl-3-[2-(2-methylphenyl)imidazol-1-yl]propan-1-amine
CID 82559024
1-(4-methyl-2,6-diphenylphenyl)-2-(2-methylphenyl)imidazole
CID 58750814
3-methyl-4-(2-methylphenyl)benzo[g]quinazolin-3-ium
CID 154594823
5-[6-(2-methylphenyl)imidazo[1,2-a]pyridin-8-yl]-N-propan-2-yl-1,3-thiazol-2-amine
CID 58207926
2-[1,3-dimethyl-6-[1-methyl-4-(trideuteriomethyl)pyridin-1-ium-2-yl]-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-3-methylimidazo[1,2-a]benzimidazole
CID 157255805
N-methyl-5-[8-(2-methylphenyl)imidazo[1,2-a]pyridin-6-yl]-1,3-thiazol-2-amine
CID 58207954
3-methyl-4-(2-methylphenyl)pyridine
CID 130153052
1-ethyl-2-(2-methylphenyl)imidazole
CID 110540780

Frequently Asked Questions

What is the IUPAC name of 7-methyl-6-[1,3,5-trimethyl-6-(2-methylphenyl)pyridin-1-ium-2-yl]imidazo[1,2-a]imidazole?
The IUPAC name of 7-methyl-6-[1,3,5-trimethyl-6-(2-methylphenyl)pyridin-1-ium-2-yl]imidazo[1,2-a]imidazole (CID 140944429) is 7-methyl-6-[1,3,5-trimethyl-6-(2-methylphenyl)pyridin-1-ium-2-yl]imidazo[1,2-a]imidazole.
What is the SMILES notation for 7-methyl-6-[1,3,5-trimethyl-6-(2-methylphenyl)pyridin-1-ium-2-yl]imidazo[1,2-a]imidazole?
The canonical SMILES for 7-methyl-6-[1,3,5-trimethyl-6-(2-methylphenyl)pyridin-1-ium-2-yl]imidazo[1,2-a]imidazole is Cc1ccccc1-c1c(C)cc(C)c(-c2cn3ccnc3n2C)[n+]1C.
What is the InChIKey of 7-methyl-6-[1,3,5-trimethyl-6-(2-methylphenyl)pyridin-1-ium-2-yl]imidazo[1,2-a]imidazole?
The InChIKey is DYSONXNUEZRSAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N4/c1-14-8-6-7-9-17(14)19-15(2)12-16(3)20(24(19)5)18-13-25-11-10-22-21(25)23(18)4/h6-13H,1-5H3/q+1.
What are the key properties of 7-methyl-6-[1,3,5-trimethyl-6-(2-methylphenyl)pyridin-1-ium-2-yl]imidazo[1,2-a]imidazole?
7-methyl-6-[1,3,5-trimethyl-6-(2-methylphenyl)pyridin-1-ium-2-yl]imidazo[1,2-a]imidazole has a molecular weight of 331.44 g/mol, XLogP of 3.76, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-6-[1,3,5-trimethyl-6-(2-methylphenyl)pyridin-1-ium-2-yl]imidazo[1,2-a]imidazole is sourced from PubChem (CID 140944429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).