3-(4-methoxyphenyl)-1-phenylimidazo[1,2-a]pyridin-4-ium;hydrobromide

C20H18BrN2O+ — CID 126958144

IUPAC3-(4-methoxyphenyl)-1-phenylimidazo[1,2-a]pyridin-4-ium;hydrobromide
SMILESBr.COc1ccc(-c2cn(-c3ccccc3)c3cccc[n+]23)cc1
InChIInChI=1S/C20H17N2O.BrH/c1-23-18-12-10-16(11-13-18)19-15-22(17-7-3-2-4-8-17)20-9-5-6-14-21(19)20;/h2-15H,1H3;1H/q+1;
InChIKeyJCOPBKOVDSONKH-UHFFFAOYSA-N
MW382.28 g/mol
LogP4.47
Rot. Bonds3

About 3-(4-methoxyphenyl)-1-phenylimidazo[1,2-a]pyridin-4-ium;hydrobromide

3-(4-methoxyphenyl)-1-phenylimidazo[1,2-a]pyridin-4-ium;hydrobromide (PubChem CID 126958144) has the molecular formula C20H18BrN2O+ and a molecular weight of 382.28 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-1-phenylimidazo[1,2-a]pyridin-4-ium;hydrobromide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-1-phenylimidazo[1,2-a]pyridin-4-ium;hydrobromide
PubChem CID126958144
Molecular FormulaC20H18BrN2O+
Molecular Weight382.28 g/mol
Exact Mass381.06
IUPAC Name3-(4-methoxyphenyl)-1-phenylimidazo[1,2-a]pyridin-4-ium;hydrobromide
SMILESBr.COc1ccc(-c2cn(-c3ccccc3)c3cccc[n+]23)cc1
InChIInChI=1S/C20H17N2O.BrH/c1-23-18-12-10-16(11-13-18)19-15-22(17-7-3-2-4-8-17)20-9-5-6-14-21(19)20;/h2-15H,1H3;1H/q+1;
InChIKeyJCOPBKOVDSONKH-UHFFFAOYSA-N
XLogP4.47
TPSA18.26 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.28
LogP ≤ 54.47
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

5-(4-methoxyphenyl)-7-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-4-ium;hydrobromide
CID 126956905
3-(4-methoxyphenyl)-1-phenyl-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-4-ium bromide
CID 15504506
2-(4-methoxyphenyl)-1-methylpyridin-1-ium iodide
CID 12957521
3-(4-methoxyphenyl)-1,4-diphenylpyrrole
CID 102125603
3-(4-methoxyphenyl)-4-phenyl-1H-1,2,4-triazole-5-thione
CID 764320
5-(4-methoxyphenyl)-2-methyl-4-phenyl-1,2,4-triazole-3-thione
CID 10709139
3-(4-methoxyphenyl)-1,4-diphenylimidazol-2-one
CID 1226931
4-(4-methoxyphenyl)-1-methyl-2,6-diphenylpyridin-1-ium
CID 2326756
1-methoxy-4-phenylbenzene;methyloxidanium
CID 144616924
1-(4-methoxyphenyl)-2-phenylindeno[1,2-c]pyrrol-4-one
CID 132598652
7-(4-bromophenyl)-5-(4-methoxyphenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-4-ium bromide
CID 12005867
3-(4-chlorophenyl)-1-(4-methoxyphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-4-ium bromide
CID 15885889

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-1-phenylimidazo[1,2-a]pyridin-4-ium;hydrobromide?
The IUPAC name of 3-(4-methoxyphenyl)-1-phenylimidazo[1,2-a]pyridin-4-ium;hydrobromide (CID 126958144) is 3-(4-methoxyphenyl)-1-phenylimidazo[1,2-a]pyridin-4-ium;hydrobromide.
What is the SMILES notation for 3-(4-methoxyphenyl)-1-phenylimidazo[1,2-a]pyridin-4-ium;hydrobromide?
The canonical SMILES for 3-(4-methoxyphenyl)-1-phenylimidazo[1,2-a]pyridin-4-ium;hydrobromide is Br.COc1ccc(-c2cn(-c3ccccc3)c3cccc[n+]23)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-1-phenylimidazo[1,2-a]pyridin-4-ium;hydrobromide?
The InChIKey is JCOPBKOVDSONKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N2O.BrH/c1-23-18-12-10-16(11-13-18)19-15-22(17-7-3-2-4-8-17)20-9-5-6-14-21(19)20;/h2-15H,1H3;1H/q+1;.
What are the key properties of 3-(4-methoxyphenyl)-1-phenylimidazo[1,2-a]pyridin-4-ium;hydrobromide?
3-(4-methoxyphenyl)-1-phenylimidazo[1,2-a]pyridin-4-ium;hydrobromide has a molecular weight of 382.28 g/mol, XLogP of 4.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-1-phenylimidazo[1,2-a]pyridin-4-ium;hydrobromide is sourced from PubChem (CID 126958144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).