1-[(4-methoxyphenyl)methyl]-2-(4-methylphenyl)imidazo[1,2-a]pyridin-4-ium

C22H21N2O+ — CID 909866

IUPAC1-[(4-methoxyphenyl)methyl]-2-(4-methylphenyl)imidazo[1,2-a]pyridin-4-ium
SMILESCOc1ccc(Cn2c(-c3ccc(C)cc3)c[n+]3ccccc23)cc1
InChIInChI=1S/C22H21N2O/c1-17-6-10-19(11-7-17)21-16-23-14-4-3-5-22(23)24(21)15-18-8-12-20(25-2)13-9-18/h3-14,16H,15H2,1-2H3/q+1
InChIKeyNLKQOQPQCOLHSP-UHFFFAOYSA-N
MW329.42 g/mol
LogP4.26
Rot. Bonds4

About 1-[(4-methoxyphenyl)methyl]-2-(4-methylphenyl)imidazo[1,2-a]pyridin-4-ium

1-[(4-methoxyphenyl)methyl]-2-(4-methylphenyl)imidazo[1,2-a]pyridin-4-ium (PubChem CID 909866) has the molecular formula C22H21N2O+ and a molecular weight of 329.42 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-2-(4-methylphenyl)imidazo[1,2-a]pyridin-4-ium.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]-2-(4-methylphenyl)imidazo[1,2-a]pyridin-4-ium
PubChem CID909866
Molecular FormulaC22H21N2O+
Molecular Weight329.42 g/mol
Exact Mass329.16
IUPAC Name1-[(4-methoxyphenyl)methyl]-2-(4-methylphenyl)imidazo[1,2-a]pyridin-4-ium
SMILESCOc1ccc(Cn2c(-c3ccc(C)cc3)c[n+]3ccccc23)cc1
InChIInChI=1S/C22H21N2O/c1-17-6-10-19(11-7-17)21-16-23-14-4-3-5-22(23)24(21)15-18-8-12-20(25-2)13-9-18/h3-14,16H,15H2,1-2H3/q+1
InChIKeyNLKQOQPQCOLHSP-UHFFFAOYSA-N
XLogP4.26
TPSA18.26 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 54.26
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-[(4-methoxyphenyl)methyl]-2-(4-methylphenyl)imidazo[1,2-a]pyridin-4-ium?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]-2-(4-methylphenyl)imidazo[1,2-a]pyridin-4-ium (CID 909866) is 1-[(4-methoxyphenyl)methyl]-2-(4-methylphenyl)imidazo[1,2-a]pyridin-4-ium.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]-2-(4-methylphenyl)imidazo[1,2-a]pyridin-4-ium?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-2-(4-methylphenyl)imidazo[1,2-a]pyridin-4-ium is COc1ccc(Cn2c(-c3ccc(C)cc3)c[n+]3ccccc23)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]-2-(4-methylphenyl)imidazo[1,2-a]pyridin-4-ium?
The InChIKey is NLKQOQPQCOLHSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N2O/c1-17-6-10-19(11-7-17)21-16-23-14-4-3-5-22(23)24(21)15-18-8-12-20(25-2)13-9-18/h3-14,16H,15H2,1-2H3/q+1.
What are the key properties of 1-[(4-methoxyphenyl)methyl]-2-(4-methylphenyl)imidazo[1,2-a]pyridin-4-ium?
1-[(4-methoxyphenyl)methyl]-2-(4-methylphenyl)imidazo[1,2-a]pyridin-4-ium has a molecular weight of 329.42 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]-2-(4-methylphenyl)imidazo[1,2-a]pyridin-4-ium is sourced from PubChem (CID 909866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).