1-(4-methoxyphenyl)-2-[3-(4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-1-ium-1-yl]ethanone bromide

C23H25BrN2O3 — CID 15270871

IUPAC1-(4-methoxyphenyl)-2-[3-(4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-1-ium-1-yl]ethanone bromide
SMILESCOc1ccc(C(=O)C[n+]2cc(-c3ccc(OC)cc3)n3c2CCCC3)cc1.[Br-]
InChIInChI=1S/C23H25N2O3.BrH/c1-27-19-10-6-17(7-11-19)21-15-24(23-5-3-4-14-25(21)23)16-22(26)18-8-12-20(28-2)13-9-18;/h6-13,15H,3-5,14,16H2,1-2H3;1H/q+1;/p-1
InChIKeyLZTNBRUINMYXEG-UHFFFAOYSA-M
MW457.37 g/mol
LogP0.68
Rot. Bonds6

About 1-(4-methoxyphenyl)-2-[3-(4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-1-ium-1-yl]ethanone bromide

1-(4-methoxyphenyl)-2-[3-(4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-1-ium-1-yl]ethanone bromide (PubChem CID 15270871) has the molecular formula C23H25BrN2O3 and a molecular weight of 457.37 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-2-[3-(4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-1-ium-1-yl]ethanone bromide.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-2-[3-(4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-1-ium-1-yl]ethanone bromide
PubChem CID15270871
Molecular FormulaC23H25BrN2O3
Molecular Weight457.37 g/mol
Exact Mass456.10
IUPAC Name1-(4-methoxyphenyl)-2-[3-(4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-1-ium-1-yl]ethanone bromide
SMILESCOc1ccc(C(=O)C[n+]2cc(-c3ccc(OC)cc3)n3c2CCCC3)cc1.[Br-]
InChIInChI=1S/C23H25N2O3.BrH/c1-27-19-10-6-17(7-11-19)21-15-24(23-5-3-4-14-25(21)23)16-22(26)18-8-12-20(28-2)13-9-18;/h6-13,15H,3-5,14,16H2,1-2H3;1H/q+1;/p-1
InChIKeyLZTNBRUINMYXEG-UHFFFAOYSA-M
XLogP0.68
TPSA44.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.37
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(4-methoxyphenyl)-2-[3-(4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-1-ium-1-yl]ethanone bromide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-2-[3-(4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-1-ium-1-yl]ethanone bromide?
The IUPAC name of 1-(4-methoxyphenyl)-2-[3-(4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-1-ium-1-yl]ethanone bromide (CID 15270871) is 1-(4-methoxyphenyl)-2-[3-(4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-1-ium-1-yl]ethanone bromide.
What is the SMILES notation for 1-(4-methoxyphenyl)-2-[3-(4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-1-ium-1-yl]ethanone bromide?
The canonical SMILES for 1-(4-methoxyphenyl)-2-[3-(4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-1-ium-1-yl]ethanone bromide is COc1ccc(C(=O)C[n+]2cc(-c3ccc(OC)cc3)n3c2CCCC3)cc1.[Br-].
What is the InChIKey of 1-(4-methoxyphenyl)-2-[3-(4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-1-ium-1-yl]ethanone bromide?
The InChIKey is LZTNBRUINMYXEG-UHFFFAOYSA-M. The full InChI is InChI=1S/C23H25N2O3.BrH/c1-27-19-10-6-17(7-11-19)21-15-24(23-5-3-4-14-25(21)23)16-22(26)18-8-12-20(28-2)13-9-18;/h6-13,15H,3-5,14,16H2,1-2H3;1H/q+1;/p-1.
What are the key properties of 1-(4-methoxyphenyl)-2-[3-(4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-1-ium-1-yl]ethanone bromide?
1-(4-methoxyphenyl)-2-[3-(4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-1-ium-1-yl]ethanone bromide has a molecular weight of 457.37 g/mol, XLogP of 0.68, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-2-[3-(4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-1-ium-1-yl]ethanone bromide is sourced from PubChem (CID 15270871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).