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

C24H24N3O4+ — CID 3102860

IUPAC2-[2-(2,4-dimethoxyphenyl)-1-methylimidazo[4,5-c]pyridin-5-ium-5-yl]-1-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)C[n+]2ccc3c(c2)nc(-c2ccc(OC)cc2OC)n3C)cc1
InChIInChI=1S/C24H24N3O4/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/q+1
InChIKeyQROADHTZRPBNDQ-UHFFFAOYSA-N
MW418.47 g/mol
LogP3.44
Rot. Bonds7

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

2-[2-(2,4-dimethoxyphenyl)-1-methylimidazo[4,5-c]pyridin-5-ium-5-yl]-1-(4-methoxyphenyl)ethanone (PubChem CID 3102860) has the molecular formula C24H24N3O4+ and a molecular weight of 418.47 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.

Molecular Properties

Compound Name2-[2-(2,4-dimethoxyphenyl)-1-methylimidazo[4,5-c]pyridin-5-ium-5-yl]-1-(4-methoxyphenyl)ethanone
PubChem CID3102860
Molecular FormulaC24H24N3O4+
Molecular Weight418.47 g/mol
Exact Mass418.18
IUPAC Name2-[2-(2,4-dimethoxyphenyl)-1-methylimidazo[4,5-c]pyridin-5-ium-5-yl]-1-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)C[n+]2ccc3c(c2)nc(-c2ccc(OC)cc2OC)n3C)cc1
InChIInChI=1S/C24H24N3O4/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/q+1
InChIKeyQROADHTZRPBNDQ-UHFFFAOYSA-N
XLogP3.44
TPSA66.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.47
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[2-(2,4-dimethoxyphenyl)-1-methylimidazo[4,5-c]pyridin-5-ium-5-yl]-1-(4-methoxyphenyl)ethanone 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 2-[2-(2,4-dimethoxyphenyl)-1-methylimidazo[4,5-c]pyridin-5-ium-5-yl]-1-(4-methoxyphenyl)ethanone?
The IUPAC name of 2-[2-(2,4-dimethoxyphenyl)-1-methylimidazo[4,5-c]pyridin-5-ium-5-yl]-1-(4-methoxyphenyl)ethanone (CID 3102860) is 2-[2-(2,4-dimethoxyphenyl)-1-methylimidazo[4,5-c]pyridin-5-ium-5-yl]-1-(4-methoxyphenyl)ethanone.
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?
The canonical SMILES for 2-[2-(2,4-dimethoxyphenyl)-1-methylimidazo[4,5-c]pyridin-5-ium-5-yl]-1-(4-methoxyphenyl)ethanone is COc1ccc(C(=O)C[n+]2ccc3c(c2)nc(-c2ccc(OC)cc2OC)n3C)cc1.
What is the InChIKey of 2-[2-(2,4-dimethoxyphenyl)-1-methylimidazo[4,5-c]pyridin-5-ium-5-yl]-1-(4-methoxyphenyl)ethanone?
The InChIKey is QROADHTZRPBNDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N3O4/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/q+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?
2-[2-(2,4-dimethoxyphenyl)-1-methylimidazo[4,5-c]pyridin-5-ium-5-yl]-1-(4-methoxyphenyl)ethanone has a molecular weight of 418.47 g/mol, XLogP of 3.44, 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 is sourced from PubChem (CID 3102860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).