8-(4-methoxyphenyl)-1-methyl-7-phenylimidazo[1,2-a]pyridin-1-ium

C21H19N2O+ — CID 132507469

IUPAC8-(4-methoxyphenyl)-1-methyl-7-phenylimidazo[1,2-a]pyridin-1-ium
SMILESCOc1ccc(-c2c(-c3ccccc3)ccn3cc[n+](C)c23)cc1
InChIInChI=1S/C21H19N2O/c1-22-14-15-23-13-12-19(16-6-4-3-5-7-16)20(21(22)23)17-8-10-18(24-2)11-9-17/h3-15H,1-2H3/q+1
InChIKeyZYGNHEYGXDLCAO-UHFFFAOYSA-N
MW315.40 g/mol
LogP4.11
Rot. Bonds3

About 8-(4-methoxyphenyl)-1-methyl-7-phenylimidazo[1,2-a]pyridin-1-ium

8-(4-methoxyphenyl)-1-methyl-7-phenylimidazo[1,2-a]pyridin-1-ium (PubChem CID 132507469) has the molecular formula C21H19N2O+ and a molecular weight of 315.40 g/mol. Its IUPAC name is 8-(4-methoxyphenyl)-1-methyl-7-phenylimidazo[1,2-a]pyridin-1-ium.

Molecular Properties

Compound Name8-(4-methoxyphenyl)-1-methyl-7-phenylimidazo[1,2-a]pyridin-1-ium
PubChem CID132507469
Molecular FormulaC21H19N2O+
Molecular Weight315.40 g/mol
Exact Mass315.15
IUPAC Name8-(4-methoxyphenyl)-1-methyl-7-phenylimidazo[1,2-a]pyridin-1-ium
SMILESCOc1ccc(-c2c(-c3ccccc3)ccn3cc[n+](C)c23)cc1
InChIInChI=1S/C21H19N2O/c1-22-14-15-23-13-12-19(16-6-4-3-5-7-16)20(21(22)23)17-8-10-18(24-2)11-9-17/h3-15H,1-2H3/q+1
InChIKeyZYGNHEYGXDLCAO-UHFFFAOYSA-N
XLogP4.11
TPSA17.52 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 54.11
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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Related Compounds

1-methyl-8-(4-nitrophenyl)-7-phenylimidazo[1,2-a]pyridin-1-ium
CID 132507468
1-[4-(4-methoxyphenyl)phenyl]-2,4,6-triphenyl-3,5-bis(4-phenylphenyl)benzene
CID 138981847
1-(4-chlorophenyl)-2-(4-methoxyphenyl)-3-phenylbenzene
CID 173189759
2-[4-(4-methoxyphenyl)-2,6-diphenylphenyl]-1-methylpyridin-1-ium
CID 10482035
1-methoxy-4-phenylbenzene;methyloxidanium
CID 144616924
3-(4-methoxyphenyl)-1,4-diphenylpyrrole
CID 102125603
[2,3-bis(4-methoxyphenyl)phenyl]boronic acid
CID 175811193
3,4-bis(4-methoxyphenyl)-6-phenylbenzene-1,2-diamine
CID 87111772
2-(4-methoxyphenyl)-1,4-diphenylbenzene
CID 132547745
8-methoxy-1,7-dimethylimidazo[1,2-a]pyridin-1-ium iodide
CID 139225553
1-methoxy-4-phenylbenzene cyanide
CID 159561637
1-[4-(4-methoxyphenyl)phenyl]-3,5-diphenylbenzene
CID 176774050

Frequently Asked Questions

What is the IUPAC name of 8-(4-methoxyphenyl)-1-methyl-7-phenylimidazo[1,2-a]pyridin-1-ium?
The IUPAC name of 8-(4-methoxyphenyl)-1-methyl-7-phenylimidazo[1,2-a]pyridin-1-ium (CID 132507469) is 8-(4-methoxyphenyl)-1-methyl-7-phenylimidazo[1,2-a]pyridin-1-ium.
What is the SMILES notation for 8-(4-methoxyphenyl)-1-methyl-7-phenylimidazo[1,2-a]pyridin-1-ium?
The canonical SMILES for 8-(4-methoxyphenyl)-1-methyl-7-phenylimidazo[1,2-a]pyridin-1-ium is COc1ccc(-c2c(-c3ccccc3)ccn3cc[n+](C)c23)cc1.
What is the InChIKey of 8-(4-methoxyphenyl)-1-methyl-7-phenylimidazo[1,2-a]pyridin-1-ium?
The InChIKey is ZYGNHEYGXDLCAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N2O/c1-22-14-15-23-13-12-19(16-6-4-3-5-7-16)20(21(22)23)17-8-10-18(24-2)11-9-17/h3-15H,1-2H3/q+1.
What are the key properties of 8-(4-methoxyphenyl)-1-methyl-7-phenylimidazo[1,2-a]pyridin-1-ium?
8-(4-methoxyphenyl)-1-methyl-7-phenylimidazo[1,2-a]pyridin-1-ium has a molecular weight of 315.40 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-methoxyphenyl)-1-methyl-7-phenylimidazo[1,2-a]pyridin-1-ium is sourced from PubChem (CID 132507469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).