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

C19H19Cl2FN2O3 — CID 57401473

IUPAC5-(3-chloro-4,5-dimethoxyphenyl)-4-(3-fluoro-4-methoxyphenyl)-1-methylimidazole;hydrochloride
SMILESCOc1ccc(-c2ncn(C)c2-c2cc(Cl)c(OC)c(OC)c2)cc1F.Cl
InChIInChI=1S/C19H18ClFN2O3.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
InChIKeyWXQURXMLEFLCNU-UHFFFAOYSA-N
MW413.28 g/mol
LogP4.99
Rot. Bonds5

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

5-(3-chloro-4,5-dimethoxyphenyl)-4-(3-fluoro-4-methoxyphenyl)-1-methylimidazole;hydrochloride (PubChem CID 57401473) has the molecular formula C19H19Cl2FN2O3 and a molecular weight of 413.28 g/mol. Its IUPAC name is 5-(3-chloro-4,5-dimethoxyphenyl)-4-(3-fluoro-4-methoxyphenyl)-1-methylimidazole;hydrochloride.

Molecular Properties

Compound Name5-(3-chloro-4,5-dimethoxyphenyl)-4-(3-fluoro-4-methoxyphenyl)-1-methylimidazole;hydrochloride
PubChem CID57401473
Molecular FormulaC19H19Cl2FN2O3
Molecular Weight413.28 g/mol
Exact Mass412.08
IUPAC Name5-(3-chloro-4,5-dimethoxyphenyl)-4-(3-fluoro-4-methoxyphenyl)-1-methylimidazole;hydrochloride
SMILESCOc1ccc(-c2ncn(C)c2-c2cc(Cl)c(OC)c(OC)c2)cc1F.Cl
InChIInChI=1S/C19H18ClFN2O3.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
InChIKeyWXQURXMLEFLCNU-UHFFFAOYSA-N
XLogP4.99
TPSA45.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.28
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-4,5-dimethoxyphenyl)-4-(3-fluoro-4-methoxyphenyl)-1-methylimidazole;hydrochloride?
The IUPAC name of 5-(3-chloro-4,5-dimethoxyphenyl)-4-(3-fluoro-4-methoxyphenyl)-1-methylimidazole;hydrochloride (CID 57401473) is 5-(3-chloro-4,5-dimethoxyphenyl)-4-(3-fluoro-4-methoxyphenyl)-1-methylimidazole;hydrochloride.
What is the SMILES notation for 5-(3-chloro-4,5-dimethoxyphenyl)-4-(3-fluoro-4-methoxyphenyl)-1-methylimidazole;hydrochloride?
The canonical SMILES for 5-(3-chloro-4,5-dimethoxyphenyl)-4-(3-fluoro-4-methoxyphenyl)-1-methylimidazole;hydrochloride is COc1ccc(-c2ncn(C)c2-c2cc(Cl)c(OC)c(OC)c2)cc1F.Cl.
What is the InChIKey of 5-(3-chloro-4,5-dimethoxyphenyl)-4-(3-fluoro-4-methoxyphenyl)-1-methylimidazole;hydrochloride?
The InChIKey is WXQURXMLEFLCNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClFN2O3.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-chloro-4,5-dimethoxyphenyl)-4-(3-fluoro-4-methoxyphenyl)-1-methylimidazole;hydrochloride?
5-(3-chloro-4,5-dimethoxyphenyl)-4-(3-fluoro-4-methoxyphenyl)-1-methylimidazole;hydrochloride has a molecular weight of 413.28 g/mol, XLogP of 4.99, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-4,5-dimethoxyphenyl)-4-(3-fluoro-4-methoxyphenyl)-1-methylimidazole;hydrochloride is sourced from PubChem (CID 57401473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).