5-(3-bromo-4,5-dimethoxyphenyl)-4-(3-fluoro-4-methoxyphenyl)-1-methylimidazole;hydrochloride

C19H19BrClFN2O3 — CID 57390983

IUPAC5-(3-bromo-4,5-dimethoxyphenyl)-4-(3-fluoro-4-methoxyphenyl)-1-methylimidazole;hydrochloride
SMILESCOc1ccc(-c2ncn(C)c2-c2cc(Br)c(OC)c(OC)c2)cc1F.Cl
InChIInChI=1S/C19H18BrFN2O3.ClH/c1-23-10-22-17(11-5-6-15(24-2)14(21)8-11)18(23)12-7-13(20)19(26-4)16(9-12)25-3;/h5-10H,1-4H3;1H
InChIKeyQGQXMDYVQWHADE-UHFFFAOYSA-N
MW457.73 g/mol
LogP5.10
Rot. Bonds5

About 5-(3-bromo-4,5-dimethoxyphenyl)-4-(3-fluoro-4-methoxyphenyl)-1-methylimidazole;hydrochloride

5-(3-bromo-4,5-dimethoxyphenyl)-4-(3-fluoro-4-methoxyphenyl)-1-methylimidazole;hydrochloride (PubChem CID 57390983) has the molecular formula C19H19BrClFN2O3 and a molecular weight of 457.73 g/mol. Its IUPAC name is 5-(3-bromo-4,5-dimethoxyphenyl)-4-(3-fluoro-4-methoxyphenyl)-1-methylimidazole;hydrochloride.

Molecular Properties

Compound Name5-(3-bromo-4,5-dimethoxyphenyl)-4-(3-fluoro-4-methoxyphenyl)-1-methylimidazole;hydrochloride
PubChem CID57390983
Molecular FormulaC19H19BrClFN2O3
Molecular Weight457.73 g/mol
Exact Mass456.03
IUPAC Name5-(3-bromo-4,5-dimethoxyphenyl)-4-(3-fluoro-4-methoxyphenyl)-1-methylimidazole;hydrochloride
SMILESCOc1ccc(-c2ncn(C)c2-c2cc(Br)c(OC)c(OC)c2)cc1F.Cl
InChIInChI=1S/C19H18BrFN2O3.ClH/c1-23-10-22-17(11-5-6-15(24-2)14(21)8-11)18(23)12-7-13(20)19(26-4)16(9-12)25-3;/h5-10H,1-4H3;1H
InChIKeyQGQXMDYVQWHADE-UHFFFAOYSA-N
XLogP5.10
TPSA45.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.73
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-(3-bromo-4,5-dimethoxyphenyl)-4-(3-fluoro-4-methoxyphenyl)-1-methylimidazole;hydrochloride 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-(3-bromo-4,5-dimethoxyphenyl)-4-(3-fluoro-4-methoxyphenyl)-1-methylimidazole;hydrochloride?
The IUPAC name of 5-(3-bromo-4,5-dimethoxyphenyl)-4-(3-fluoro-4-methoxyphenyl)-1-methylimidazole;hydrochloride (CID 57390983) is 5-(3-bromo-4,5-dimethoxyphenyl)-4-(3-fluoro-4-methoxyphenyl)-1-methylimidazole;hydrochloride.
What is the SMILES notation for 5-(3-bromo-4,5-dimethoxyphenyl)-4-(3-fluoro-4-methoxyphenyl)-1-methylimidazole;hydrochloride?
The canonical SMILES for 5-(3-bromo-4,5-dimethoxyphenyl)-4-(3-fluoro-4-methoxyphenyl)-1-methylimidazole;hydrochloride is COc1ccc(-c2ncn(C)c2-c2cc(Br)c(OC)c(OC)c2)cc1F.Cl.
What is the InChIKey of 5-(3-bromo-4,5-dimethoxyphenyl)-4-(3-fluoro-4-methoxyphenyl)-1-methylimidazole;hydrochloride?
The InChIKey is QGQXMDYVQWHADE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrFN2O3.ClH/c1-23-10-22-17(11-5-6-15(24-2)14(21)8-11)18(23)12-7-13(20)19(26-4)16(9-12)25-3;/h5-10H,1-4H3;1H.
What are the key properties of 5-(3-bromo-4,5-dimethoxyphenyl)-4-(3-fluoro-4-methoxyphenyl)-1-methylimidazole;hydrochloride?
5-(3-bromo-4,5-dimethoxyphenyl)-4-(3-fluoro-4-methoxyphenyl)-1-methylimidazole;hydrochloride has a molecular weight of 457.73 g/mol, XLogP of 5.10, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromo-4,5-dimethoxyphenyl)-4-(3-fluoro-4-methoxyphenyl)-1-methylimidazole;hydrochloride is sourced from PubChem (CID 57390983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).