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

C24H24BrN3O4 — CID 11958718

IUPAC2-[2-(2,4-dimethoxyphenyl)-1-methylimidazo[4,5-c]pyridin-5-ium-5-yl]-1-(4-methoxyphenyl)ethanone bromide
SMILESCOc1ccc(C(=O)C[n+]2ccc3c(c2)nc(-c2ccc(OC)cc2OC)n3C)cc1.[Br-]
InChIInChI=1S/C24H24N3O4.BrH/c1-26-21-11-12-27(15-22(28)16-5-7-17(29-2)8-6-16)14-20(21)25-24(26)19-10-9-18(30-3)13-23(19)31-4;/h5-14H,15H2,1-4H3;1H/q+1;/p-1
InChIKeyQWRXCYAXGDOYRS-UHFFFAOYSA-M
MW498.38 g/mol
LogP0.44
Rot. Bonds7

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

2-[2-(2,4-dimethoxyphenyl)-1-methylimidazo[4,5-c]pyridin-5-ium-5-yl]-1-(4-methoxyphenyl)ethanone bromide (PubChem CID 11958718) has the molecular formula C24H24BrN3O4 and a molecular weight of 498.38 g/mol. Its IUPAC name is 2-[2-(2,4-dimethoxyphenyl)-1-methylimidazo[4,5-c]pyridin-5-ium-5-yl]-1-(4-methoxyphenyl)ethanone bromide.

Molecular Properties

Compound Name2-[2-(2,4-dimethoxyphenyl)-1-methylimidazo[4,5-c]pyridin-5-ium-5-yl]-1-(4-methoxyphenyl)ethanone bromide
PubChem CID11958718
Molecular FormulaC24H24BrN3O4
Molecular Weight498.38 g/mol
Exact Mass497.10
IUPAC Name2-[2-(2,4-dimethoxyphenyl)-1-methylimidazo[4,5-c]pyridin-5-ium-5-yl]-1-(4-methoxyphenyl)ethanone bromide
SMILESCOc1ccc(C(=O)C[n+]2ccc3c(c2)nc(-c2ccc(OC)cc2OC)n3C)cc1.[Br-]
InChIInChI=1S/C24H24N3O4.BrH/c1-26-21-11-12-27(15-22(28)16-5-7-17(29-2)8-6-16)14-20(21)25-24(26)19-10-9-18(30-3)13-23(19)31-4;/h5-14H,15H2,1-4H3;1H/q+1;/p-1
InChIKeyQWRXCYAXGDOYRS-UHFFFAOYSA-M
XLogP0.44
TPSA66.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.38
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(3-{Imidazo[1,2-A]pyrimidin-2-YL}phenyl)-3,4,5-trimethoxybenzamide
CID 5304380
3,4,5-trimethoxy-N-(3-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl)benzamide
CID 983446
3,4,5-trimethoxy-N-(3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl)benzamide
CID 1084380
6-ethyl-7-hydroxy-3-(1-methyl-1H-benzimidazol-2-yl)-8-(piperidin-1-ylmethyl)-4H-chromen-4-one
CID 1286957
3-(2-Methoxyphenyl)-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]propan-1-one
CID 10739279
(7-Methoxyimidazo[1,2-a]pyridin-3-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 11522983
2-[2-[[5-(Cyclohexylmethyl)-4-(2,4-dimethoxyphenyl)pyrimidin-2-yl]carbamoyl]indol-1-yl]acetic acid
CID 24990933
N-[3-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2,4-dimethoxybenzamide
CID 44591559
(1-benzyl-2-(p-tolyl)-1H-imidazol-4-yl)(3,4,5-trimethoxyphenyl)methanone
CID 56671844
3-Cyclobutyl-1-(2-ethoxy-4-phenoxyphenyl)imidazo[1,5-a]pyrazin-8-amine
CID 57960806
3-Cyclobutyl-1-(2-methoxy-4-phenoxyphenyl)imidazo[1,5-a]pyrazin-8-amine
CID 57961010
[1-Methyl-2-(1-methyl-1H-indol-3-yl)-1H-imidazol-4-yl](3,4,5-trimethoxyphenyl)methanone
CID 66561352

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,4-dimethoxyphenyl)-1-methylimidazo[4,5-c]pyridin-5-ium-5-yl]-1-(4-methoxyphenyl)ethanone bromide?
The IUPAC name of 2-[2-(2,4-dimethoxyphenyl)-1-methylimidazo[4,5-c]pyridin-5-ium-5-yl]-1-(4-methoxyphenyl)ethanone bromide (CID 11958718) is 2-[2-(2,4-dimethoxyphenyl)-1-methylimidazo[4,5-c]pyridin-5-ium-5-yl]-1-(4-methoxyphenyl)ethanone bromide.
What is the SMILES notation for 2-[2-(2,4-dimethoxyphenyl)-1-methylimidazo[4,5-c]pyridin-5-ium-5-yl]-1-(4-methoxyphenyl)ethanone bromide?
The canonical SMILES for 2-[2-(2,4-dimethoxyphenyl)-1-methylimidazo[4,5-c]pyridin-5-ium-5-yl]-1-(4-methoxyphenyl)ethanone bromide is COc1ccc(C(=O)C[n+]2ccc3c(c2)nc(-c2ccc(OC)cc2OC)n3C)cc1.[Br-].
What is the InChIKey of 2-[2-(2,4-dimethoxyphenyl)-1-methylimidazo[4,5-c]pyridin-5-ium-5-yl]-1-(4-methoxyphenyl)ethanone bromide?
The InChIKey is QWRXCYAXGDOYRS-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H24N3O4.BrH/c1-26-21-11-12-27(15-22(28)16-5-7-17(29-2)8-6-16)14-20(21)25-24(26)19-10-9-18(30-3)13-23(19)31-4;/h5-14H,15H2,1-4H3;1H/q+1;/p-1.
What are the key properties of 2-[2-(2,4-dimethoxyphenyl)-1-methylimidazo[4,5-c]pyridin-5-ium-5-yl]-1-(4-methoxyphenyl)ethanone bromide?
2-[2-(2,4-dimethoxyphenyl)-1-methylimidazo[4,5-c]pyridin-5-ium-5-yl]-1-(4-methoxyphenyl)ethanone bromide has a molecular weight of 498.38 g/mol, XLogP of 0.44, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,4-dimethoxyphenyl)-1-methylimidazo[4,5-c]pyridin-5-ium-5-yl]-1-(4-methoxyphenyl)ethanone bromide is sourced from PubChem (CID 11958718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).