5-[5-(3-bromo-4,5-dimethoxyphenyl)-3-methylimidazol-4-yl]-2-methoxyaniline;dihydrochloride

C19H22BrCl2N3O3 — CID 46938810

IUPAC5-[5-(3-bromo-4,5-dimethoxyphenyl)-3-methylimidazol-4-yl]-2-methoxyaniline;dihydrochloride
SMILESCOc1ccc(-c2c(-c3cc(Br)c(OC)c(OC)c3)ncn2C)cc1N.Cl.Cl
InChIInChI=1S/C19H20BrN3O3.2ClH/c1-23-10-22-17(12-7-13(20)19(26-4)16(9-12)25-3)18(23)11-5-6-15(24-2)14(21)8-11;;/h5-10H,21H2,1-4H3;2*1H
InChIKeyGDKMGBCYXLUWPE-UHFFFAOYSA-N
MW491.21 g/mol
LogP4.97
Rot. Bonds5

About 5-[5-(3-bromo-4,5-dimethoxyphenyl)-3-methylimidazol-4-yl]-2-methoxyaniline;dihydrochloride

5-[5-(3-bromo-4,5-dimethoxyphenyl)-3-methylimidazol-4-yl]-2-methoxyaniline;dihydrochloride (PubChem CID 46938810) has the molecular formula C19H22BrCl2N3O3 and a molecular weight of 491.21 g/mol. Its IUPAC name is 5-[5-(3-bromo-4,5-dimethoxyphenyl)-3-methylimidazol-4-yl]-2-methoxyaniline;dihydrochloride.

Molecular Properties

Compound Name5-[5-(3-bromo-4,5-dimethoxyphenyl)-3-methylimidazol-4-yl]-2-methoxyaniline;dihydrochloride
PubChem CID46938810
Molecular FormulaC19H22BrCl2N3O3
Molecular Weight491.21 g/mol
Exact Mass489.02
IUPAC Name5-[5-(3-bromo-4,5-dimethoxyphenyl)-3-methylimidazol-4-yl]-2-methoxyaniline;dihydrochloride
SMILESCOc1ccc(-c2c(-c3cc(Br)c(OC)c(OC)c3)ncn2C)cc1N.Cl.Cl
InChIInChI=1S/C19H20BrN3O3.2ClH/c1-23-10-22-17(12-7-13(20)19(26-4)16(9-12)25-3)18(23)11-5-6-15(24-2)14(21)8-11;;/h5-10H,21H2,1-4H3;2*1H
InChIKeyGDKMGBCYXLUWPE-UHFFFAOYSA-N
XLogP4.97
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.21
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-[5-(3-bromo-4,5-dimethoxyphenyl)-3-methylimidazol-4-yl]-2-methoxyaniline;dihydrochloride 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 5-[5-(3-bromo-4,5-dimethoxyphenyl)-3-methylimidazol-4-yl]-2-methoxyaniline;dihydrochloride?
The IUPAC name of 5-[5-(3-bromo-4,5-dimethoxyphenyl)-3-methylimidazol-4-yl]-2-methoxyaniline;dihydrochloride (CID 46938810) is 5-[5-(3-bromo-4,5-dimethoxyphenyl)-3-methylimidazol-4-yl]-2-methoxyaniline;dihydrochloride.
What is the SMILES notation for 5-[5-(3-bromo-4,5-dimethoxyphenyl)-3-methylimidazol-4-yl]-2-methoxyaniline;dihydrochloride?
The canonical SMILES for 5-[5-(3-bromo-4,5-dimethoxyphenyl)-3-methylimidazol-4-yl]-2-methoxyaniline;dihydrochloride is COc1ccc(-c2c(-c3cc(Br)c(OC)c(OC)c3)ncn2C)cc1N.Cl.Cl.
What is the InChIKey of 5-[5-(3-bromo-4,5-dimethoxyphenyl)-3-methylimidazol-4-yl]-2-methoxyaniline;dihydrochloride?
The InChIKey is GDKMGBCYXLUWPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrN3O3.2ClH/c1-23-10-22-17(12-7-13(20)19(26-4)16(9-12)25-3)18(23)11-5-6-15(24-2)14(21)8-11;;/h5-10H,21H2,1-4H3;2*1H.
What are the key properties of 5-[5-(3-bromo-4,5-dimethoxyphenyl)-3-methylimidazol-4-yl]-2-methoxyaniline;dihydrochloride?
5-[5-(3-bromo-4,5-dimethoxyphenyl)-3-methylimidazol-4-yl]-2-methoxyaniline;dihydrochloride has a molecular weight of 491.21 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(3-bromo-4,5-dimethoxyphenyl)-3-methylimidazol-4-yl]-2-methoxyaniline;dihydrochloride is sourced from PubChem (CID 46938810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).