4-bromo-5-(4-methoxyphenyl)-2-methyl-1-(trifluoromethyl)imidazole

C12H10BrF3N2O — CID 177241284

IUPAC4-bromo-5-(4-methoxyphenyl)-2-methyl-1-(trifluoromethyl)imidazole
SMILESCOc1ccc(-c2c(Br)nc(C)n2C(F)(F)F)cc1
InChIInChI=1S/C12H10BrF3N2O/c1-7-17-11(13)10(18(7)12(14,15)16)8-3-5-9(19-2)6-4-8/h3-6H,1-2H3
InChIKeyRMFHIYQGMZCSMK-UHFFFAOYSA-N
MW335.12 g/mol
LogP4.11
Rot. Bonds2

About 4-bromo-5-(4-methoxyphenyl)-2-methyl-1-(trifluoromethyl)imidazole

4-bromo-5-(4-methoxyphenyl)-2-methyl-1-(trifluoromethyl)imidazole (PubChem CID 177241284) has the molecular formula C12H10BrF3N2O and a molecular weight of 335.12 g/mol. Its IUPAC name is 4-bromo-5-(4-methoxyphenyl)-2-methyl-1-(trifluoromethyl)imidazole.

Molecular Properties

Compound Name4-bromo-5-(4-methoxyphenyl)-2-methyl-1-(trifluoromethyl)imidazole
PubChem CID177241284
Molecular FormulaC12H10BrF3N2O
Molecular Weight335.12 g/mol
Exact Mass333.99
IUPAC Name4-bromo-5-(4-methoxyphenyl)-2-methyl-1-(trifluoromethyl)imidazole
SMILESCOc1ccc(-c2c(Br)nc(C)n2C(F)(F)F)cc1
InChIInChI=1S/C12H10BrF3N2O/c1-7-17-11(13)10(18(7)12(14,15)16)8-3-5-9(19-2)6-4-8/h3-6H,1-2H3
InChIKeyRMFHIYQGMZCSMK-UHFFFAOYSA-N
XLogP4.11
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.12
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-bis(4-methoxyphenyl)-1-methyl-4-[4-(trifluoromethyl)phenyl]imidazole
CID 53244019
3-(4-methoxyphenyl)-6-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 11841813
4-bromo-1-(difluoromethyl)-5-(4-methoxyphenyl)pyrazole
CID 171075985
4-bromo-1-(4-methoxyphenyl)-2-(trifluoromethyl)benzene
CID 164894616
1-bromo-2-(4-methoxyphenyl)-4-(trifluoromethyl)benzene
CID 102110780
4-(4-methoxyphenyl)-5-methyl-1-[4-(trifluoromethyl)phenyl]pyrazole
CID 174394516
1-(113C)methoxy-4-methylbenzene
CID 166176950
4-bromo-5-(4-methoxyphenyl)pyrimidine
CID 105370920
3,6-bis(4-methoxyphenyl)-4,5-bis(trifluoromethyl)pyridazine
CID 15369983
6-bromo-2-(4-methoxyphenyl)-3-methylimidazo[1,2-a]pyrimidine
CID 115404592
2-[4,5-bis(4-methoxyphenyl)-1-methylimidazol-2-yl]-1,1,1,3,3,3-hexafluoropropan-2-amine
CID 13050574
3-(4-bromophenyl)-4-(4-methoxyphenyl)-5-methyl-1,2,4-triazole
CID 58997471

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-(4-methoxyphenyl)-2-methyl-1-(trifluoromethyl)imidazole?
The IUPAC name of 4-bromo-5-(4-methoxyphenyl)-2-methyl-1-(trifluoromethyl)imidazole (CID 177241284) is 4-bromo-5-(4-methoxyphenyl)-2-methyl-1-(trifluoromethyl)imidazole.
What is the SMILES notation for 4-bromo-5-(4-methoxyphenyl)-2-methyl-1-(trifluoromethyl)imidazole?
The canonical SMILES for 4-bromo-5-(4-methoxyphenyl)-2-methyl-1-(trifluoromethyl)imidazole is COc1ccc(-c2c(Br)nc(C)n2C(F)(F)F)cc1.
What is the InChIKey of 4-bromo-5-(4-methoxyphenyl)-2-methyl-1-(trifluoromethyl)imidazole?
The InChIKey is RMFHIYQGMZCSMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrF3N2O/c1-7-17-11(13)10(18(7)12(14,15)16)8-3-5-9(19-2)6-4-8/h3-6H,1-2H3.
What are the key properties of 4-bromo-5-(4-methoxyphenyl)-2-methyl-1-(trifluoromethyl)imidazole?
4-bromo-5-(4-methoxyphenyl)-2-methyl-1-(trifluoromethyl)imidazole has a molecular weight of 335.12 g/mol, XLogP of 4.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-(4-methoxyphenyl)-2-methyl-1-(trifluoromethyl)imidazole is sourced from PubChem (CID 177241284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).