1-(4-methoxyphenyl)-2-(1-methyl-2-phenylimidazo[4,5-c]pyridin-5-ium-5-yl)ethanone bromide

C22H20BrN3O2 — CID 2836228

IUPAC1-(4-methoxyphenyl)-2-(1-methyl-2-phenylimidazo[4,5-c]pyridin-5-ium-5-yl)ethanone bromide
SMILESCOc1ccc(C(=O)C[n+]2ccc3c(c2)nc(-c2ccccc2)n3C)cc1.[Br-]
InChIInChI=1S/C22H20N3O2.BrH/c1-24-20-12-13-25(15-21(26)16-8-10-18(27-2)11-9-16)14-19(20)23-22(24)17-6-4-3-5-7-17;/h3-14H,15H2,1-2H3;1H/q+1;/p-1
InChIKeyQIXKBGGQXIXJJR-UHFFFAOYSA-M
MW438.33 g/mol
LogP0.42
Rot. Bonds5

About 1-(4-methoxyphenyl)-2-(1-methyl-2-phenylimidazo[4,5-c]pyridin-5-ium-5-yl)ethanone bromide

1-(4-methoxyphenyl)-2-(1-methyl-2-phenylimidazo[4,5-c]pyridin-5-ium-5-yl)ethanone bromide (PubChem CID 2836228) has the molecular formula C22H20BrN3O2 and a molecular weight of 438.33 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-2-(1-methyl-2-phenylimidazo[4,5-c]pyridin-5-ium-5-yl)ethanone bromide.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-2-(1-methyl-2-phenylimidazo[4,5-c]pyridin-5-ium-5-yl)ethanone bromide
PubChem CID2836228
Molecular FormulaC22H20BrN3O2
Molecular Weight438.33 g/mol
Exact Mass437.07
IUPAC Name1-(4-methoxyphenyl)-2-(1-methyl-2-phenylimidazo[4,5-c]pyridin-5-ium-5-yl)ethanone bromide
SMILESCOc1ccc(C(=O)C[n+]2ccc3c(c2)nc(-c2ccccc2)n3C)cc1.[Br-]
InChIInChI=1S/C22H20N3O2.BrH/c1-24-20-12-13-25(15-21(26)16-8-10-18(27-2)11-9-16)14-19(20)23-22(24)17-6-4-3-5-7-17;/h3-14H,15H2,1-2H3;1H/q+1;/p-1
InChIKeyQIXKBGGQXIXJJR-UHFFFAOYSA-M
XLogP0.42
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.33
LogP ≤ 50.42
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-(1-methyl-2-phenylimidazo[4,5-c]pyridin-5-ium-5-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

Related Compounds

Divaplon
CID 65822
Benzoimidazol-1-YL-(4-methoxy-phenyl)-methanone
CID 710646
1h-Benzimidazol-2-Yl(4-{[3-(Tetrahydro-2h-Pyran-4-Yl)pyridin-2-Yl]oxy}phenyl)methanone
CID 59326858
N-(3-imidazol-1-ylpropyl)-8-(4-methoxyphenyl)-1,6-naphthyridine-2-carboxamide
CID 4055067
N-[2-(4-methoxyphenyl)ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 675270
4-{4-[5-(4-Fluoro-phenyl)-3-piperidin-4-yl-3H-imidazol-4-yl]-pyrimidin-2-yloxy}-benzamide
CID 9890357
1h-Benzimidazol-2-Yl(4-{[3-(Morpholin-4-Yl)pyrazin-2-Yl]oxy}phenyl)methanone
CID 46207938
N,N-diisopentyl-2-(4-methoxybenzoyl)-3-(3-(piperidin-1-yl)propyl)-3H-benzo[d]imidazole-5-carboxamide
CID 44432966
1-[3-[2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-3-pyridinyl]piperidin-1-yl]ethanone
CID 59326903
1-[4-[2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-3-pyridinyl]piperidin-1-yl]ethanone
CID 59327006
1-[4-[3-(4-Propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]ethanone
CID 134179255
1-[4-[6-(4-Propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]ethanone
CID 134179274

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-2-(1-methyl-2-phenylimidazo[4,5-c]pyridin-5-ium-5-yl)ethanone bromide?
The IUPAC name of 1-(4-methoxyphenyl)-2-(1-methyl-2-phenylimidazo[4,5-c]pyridin-5-ium-5-yl)ethanone bromide (CID 2836228) is 1-(4-methoxyphenyl)-2-(1-methyl-2-phenylimidazo[4,5-c]pyridin-5-ium-5-yl)ethanone bromide.
What is the SMILES notation for 1-(4-methoxyphenyl)-2-(1-methyl-2-phenylimidazo[4,5-c]pyridin-5-ium-5-yl)ethanone bromide?
The canonical SMILES for 1-(4-methoxyphenyl)-2-(1-methyl-2-phenylimidazo[4,5-c]pyridin-5-ium-5-yl)ethanone bromide is COc1ccc(C(=O)C[n+]2ccc3c(c2)nc(-c2ccccc2)n3C)cc1.[Br-].
What is the InChIKey of 1-(4-methoxyphenyl)-2-(1-methyl-2-phenylimidazo[4,5-c]pyridin-5-ium-5-yl)ethanone bromide?
The InChIKey is QIXKBGGQXIXJJR-UHFFFAOYSA-M. The full InChI is InChI=1S/C22H20N3O2.BrH/c1-24-20-12-13-25(15-21(26)16-8-10-18(27-2)11-9-16)14-19(20)23-22(24)17-6-4-3-5-7-17;/h3-14H,15H2,1-2H3;1H/q+1;/p-1.
What are the key properties of 1-(4-methoxyphenyl)-2-(1-methyl-2-phenylimidazo[4,5-c]pyridin-5-ium-5-yl)ethanone bromide?
1-(4-methoxyphenyl)-2-(1-methyl-2-phenylimidazo[4,5-c]pyridin-5-ium-5-yl)ethanone bromide has a molecular weight of 438.33 g/mol, XLogP of 0.42, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-2-(1-methyl-2-phenylimidazo[4,5-c]pyridin-5-ium-5-yl)ethanone bromide is sourced from PubChem (CID 2836228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).