4-bromo-5-(4-fluorophenyl)-1-(methoxymethyl)-2-[4-(2-methylpropyl)phenyl]imidazole

C21H22BrFN2O — CID 134247510

IUPAC4-bromo-5-(4-fluorophenyl)-1-(methoxymethyl)-2-[4-(2-methylpropyl)phenyl]imidazole
SMILESCOCn1c(-c2ccc(CC(C)C)cc2)nc(Br)c1-c1ccc(F)cc1
InChIInChI=1S/C21H22BrFN2O/c1-14(2)12-15-4-6-17(7-5-15)21-24-20(22)19(25(21)13-26-3)16-8-10-18(23)11-9-16/h4-11,14H,12-13H2,1-3H3
InChIKeyQLPROLJDJCOQKW-UHFFFAOYSA-N
MW417.32 g/mol
LogP5.92
Rot. Bonds6

About 4-bromo-5-(4-fluorophenyl)-1-(methoxymethyl)-2-[4-(2-methylpropyl)phenyl]imidazole

4-bromo-5-(4-fluorophenyl)-1-(methoxymethyl)-2-[4-(2-methylpropyl)phenyl]imidazole (PubChem CID 134247510) has the molecular formula C21H22BrFN2O and a molecular weight of 417.32 g/mol. Its IUPAC name is 4-bromo-5-(4-fluorophenyl)-1-(methoxymethyl)-2-[4-(2-methylpropyl)phenyl]imidazole.

Molecular Properties

Compound Name4-bromo-5-(4-fluorophenyl)-1-(methoxymethyl)-2-[4-(2-methylpropyl)phenyl]imidazole
PubChem CID134247510
Molecular FormulaC21H22BrFN2O
Molecular Weight417.32 g/mol
Exact Mass416.09
IUPAC Name4-bromo-5-(4-fluorophenyl)-1-(methoxymethyl)-2-[4-(2-methylpropyl)phenyl]imidazole
SMILESCOCn1c(-c2ccc(CC(C)C)cc2)nc(Br)c1-c1ccc(F)cc1
InChIInChI=1S/C21H22BrFN2O/c1-14(2)12-15-4-6-17(7-5-15)21-24-20(22)19(25(21)13-26-3)16-8-10-18(23)11-9-16/h4-11,14H,12-13H2,1-3H3
InChIKeyQLPROLJDJCOQKW-UHFFFAOYSA-N
XLogP5.92
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.32
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-bromo-1-methyl-5-[4-(2-methylpropyl)phenyl]imidazol-2-yl]methanamine
CID 84605016
1-fluoro-4-(2-methylpropyl)benzene;2-methylpropylbenzene
CID 145233135
1-(methoxymethyl)-4-[4-(2-methylpropyl)phenyl]benzene
CID 149288523
[1-[(4-fluorophenyl)methyl]-5-(4-methoxyphenyl)triazol-4-yl]methanol
CID 94943302
1,2-difluoro-4-(2-methylpropyl)benzene;1-fluoro-4-(2-methylpropyl)benzene
CID 157379401
3-tert-butyl-2-methyl-6-[4-(2-methylpropyl)phenyl]pyridine
CID 140943602
6-(4-methoxyphenyl)-3-[4-(2-methylpropyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrimidine
CID 53258366
1-bromo-2-[4-(2-methylpropyl)phenyl]benzene
CID 145150198
5-bromo-2-[(4-fluorophenyl)methyl]-6-(2-methylpropyl)-1H-pyrimidine-4-thione
CID 106481027
5-fluoro-2-[4-(2-methylpropyl)phenyl]benzonitrile
CID 166549498
3-(chloromethyl)-5-(4-fluorophenyl)-4-(2-methylpropyl)-1,2,4-triazole
CID 113302170
[4-bromo-5-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]methanamine
CID 84606541

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-(4-fluorophenyl)-1-(methoxymethyl)-2-[4-(2-methylpropyl)phenyl]imidazole?
The IUPAC name of 4-bromo-5-(4-fluorophenyl)-1-(methoxymethyl)-2-[4-(2-methylpropyl)phenyl]imidazole (CID 134247510) is 4-bromo-5-(4-fluorophenyl)-1-(methoxymethyl)-2-[4-(2-methylpropyl)phenyl]imidazole.
What is the SMILES notation for 4-bromo-5-(4-fluorophenyl)-1-(methoxymethyl)-2-[4-(2-methylpropyl)phenyl]imidazole?
The canonical SMILES for 4-bromo-5-(4-fluorophenyl)-1-(methoxymethyl)-2-[4-(2-methylpropyl)phenyl]imidazole is COCn1c(-c2ccc(CC(C)C)cc2)nc(Br)c1-c1ccc(F)cc1.
What is the InChIKey of 4-bromo-5-(4-fluorophenyl)-1-(methoxymethyl)-2-[4-(2-methylpropyl)phenyl]imidazole?
The InChIKey is QLPROLJDJCOQKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22BrFN2O/c1-14(2)12-15-4-6-17(7-5-15)21-24-20(22)19(25(21)13-26-3)16-8-10-18(23)11-9-16/h4-11,14H,12-13H2,1-3H3.
What are the key properties of 4-bromo-5-(4-fluorophenyl)-1-(methoxymethyl)-2-[4-(2-methylpropyl)phenyl]imidazole?
4-bromo-5-(4-fluorophenyl)-1-(methoxymethyl)-2-[4-(2-methylpropyl)phenyl]imidazole has a molecular weight of 417.32 g/mol, XLogP of 5.92, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-(4-fluorophenyl)-1-(methoxymethyl)-2-[4-(2-methylpropyl)phenyl]imidazole is sourced from PubChem (CID 134247510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).