5-[4-[(4-bromo-2-fluorophenyl)methoxy]-2-methoxyphenyl]-2-(4-methoxyphenyl)-1H-imidazole

C24H20BrFN2O3 — CID 58510120

IUPAC5-[4-[(4-bromo-2-fluorophenyl)methoxy]-2-methoxyphenyl]-2-(4-methoxyphenyl)-1H-imidazole
SMILESCOc1ccc(-c2ncc(-c3ccc(OCc4ccc(Br)cc4F)cc3OC)[nH]2)cc1
InChIInChI=1S/C24H20BrFN2O3/c1-29-18-7-4-15(5-8-18)24-27-13-22(28-24)20-10-9-19(12-23(20)30-2)31-14-16-3-6-17(25)11-21(16)26/h3-13H,14H2,1-2H3,(H,27,28)
InChIKeyIMAQLIOAVQTXDE-UHFFFAOYSA-N
MW483.34 g/mol
LogP6.24
Rot. Bonds7

About 5-[4-[(4-bromo-2-fluorophenyl)methoxy]-2-methoxyphenyl]-2-(4-methoxyphenyl)-1H-imidazole

5-[4-[(4-bromo-2-fluorophenyl)methoxy]-2-methoxyphenyl]-2-(4-methoxyphenyl)-1H-imidazole (PubChem CID 58510120) has the molecular formula C24H20BrFN2O3 and a molecular weight of 483.34 g/mol. Its IUPAC name is 5-[4-[(4-bromo-2-fluorophenyl)methoxy]-2-methoxyphenyl]-2-(4-methoxyphenyl)-1H-imidazole.

Molecular Properties

Compound Name5-[4-[(4-bromo-2-fluorophenyl)methoxy]-2-methoxyphenyl]-2-(4-methoxyphenyl)-1H-imidazole
PubChem CID58510120
Molecular FormulaC24H20BrFN2O3
Molecular Weight483.34 g/mol
Exact Mass482.06
IUPAC Name5-[4-[(4-bromo-2-fluorophenyl)methoxy]-2-methoxyphenyl]-2-(4-methoxyphenyl)-1H-imidazole
SMILESCOc1ccc(-c2ncc(-c3ccc(OCc4ccc(Br)cc4F)cc3OC)[nH]2)cc1
InChIInChI=1S/C24H20BrFN2O3/c1-29-18-7-4-15(5-8-18)24-27-13-22(28-24)20-10-9-19(12-23(20)30-2)31-14-16-3-6-17(25)11-21(16)26/h3-13H,14H2,1-2H3,(H,27,28)
InChIKeyIMAQLIOAVQTXDE-UHFFFAOYSA-N
XLogP6.24
TPSA56.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.34
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[5-[4-[(4-bromo-2-fluorophenyl)methoxy]-2-methoxyphenyl]-1H-imidazol-2-yl]benzoate
CID 58510215
5-bromo-2-[[4-[2-(4-fluorophenyl)-1H-imidazol-5-yl]-3-methoxyphenoxy]methyl]benzonitrile
CID 58510193
5-[4-[(4-chloro-2-fluorophenyl)methoxy]-2-methoxyphenyl]-2-(3-methylphenyl)-1H-imidazole
CID 58510067
5-[2-methoxy-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-2-[4-(trifluoromethyl)phenyl]-1H-imidazole
CID 88881339
2-(4-chlorophenyl)-5-(2-methoxy-4-phenylmethoxyphenyl)-1H-imidazole
CID 58510130
5-(2-methoxy-4-phenylmethoxyphenyl)-2-phenyl-1H-imidazole;hydrochloride
CID 158418618
2-[[4-[2-(6-fluoro-3-pyridinyl)-1H-imidazol-5-yl]-3-methoxyphenoxy]methyl]-5-methylpyrazine
CID 129304112
5-(2-methoxy-4-phenylmethoxyphenyl)-2-[4-(trifluoromethyl)phenyl]-1H-imidazole
CID 58510131
2-(4-chlorophenyl)-5-[4-[(4-isocyanophenyl)methoxy]-2-methoxyphenyl]-1H-imidazole
CID 58510218
2-[[3-methoxy-4-[2-(4-methylphenyl)-1H-imidazol-5-yl]phenoxy]methyl]-5-(trifluoromethyl)pyridine
CID 70667493
4-[2-(4-fluorophenyl)-1H-imidazol-5-yl]-3-methoxyphenol
CID 70667347
5-[4-[(4-chlorophenyl)methoxy]-2-methoxyphenyl]-2-(3,5-dichlorophenyl)-1H-imidazole;hydrochloride
CID 161435087

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(4-bromo-2-fluorophenyl)methoxy]-2-methoxyphenyl]-2-(4-methoxyphenyl)-1H-imidazole?
The IUPAC name of 5-[4-[(4-bromo-2-fluorophenyl)methoxy]-2-methoxyphenyl]-2-(4-methoxyphenyl)-1H-imidazole (CID 58510120) is 5-[4-[(4-bromo-2-fluorophenyl)methoxy]-2-methoxyphenyl]-2-(4-methoxyphenyl)-1H-imidazole.
What is the SMILES notation for 5-[4-[(4-bromo-2-fluorophenyl)methoxy]-2-methoxyphenyl]-2-(4-methoxyphenyl)-1H-imidazole?
The canonical SMILES for 5-[4-[(4-bromo-2-fluorophenyl)methoxy]-2-methoxyphenyl]-2-(4-methoxyphenyl)-1H-imidazole is COc1ccc(-c2ncc(-c3ccc(OCc4ccc(Br)cc4F)cc3OC)[nH]2)cc1.
What is the InChIKey of 5-[4-[(4-bromo-2-fluorophenyl)methoxy]-2-methoxyphenyl]-2-(4-methoxyphenyl)-1H-imidazole?
The InChIKey is IMAQLIOAVQTXDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20BrFN2O3/c1-29-18-7-4-15(5-8-18)24-27-13-22(28-24)20-10-9-19(12-23(20)30-2)31-14-16-3-6-17(25)11-21(16)26/h3-13H,14H2,1-2H3,(H,27,28).
What are the key properties of 5-[4-[(4-bromo-2-fluorophenyl)methoxy]-2-methoxyphenyl]-2-(4-methoxyphenyl)-1H-imidazole?
5-[4-[(4-bromo-2-fluorophenyl)methoxy]-2-methoxyphenyl]-2-(4-methoxyphenyl)-1H-imidazole has a molecular weight of 483.34 g/mol, XLogP of 6.24, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(4-bromo-2-fluorophenyl)methoxy]-2-methoxyphenyl]-2-(4-methoxyphenyl)-1H-imidazole is sourced from PubChem (CID 58510120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).