2-(4-bromo-2-fluorophenyl)-1-methyl-4-(trifluoromethyl)imidazole

C11H7BrF4N2 — CID 168800104

IUPAC2-(4-bromo-2-fluorophenyl)-1-methyl-4-(trifluoromethyl)imidazole
SMILESCn1cc(C(F)(F)F)nc1-c1ccc(Br)cc1F
InChIInChI=1S/C11H7BrF4N2/c1-18-5-9(11(14,15)16)17-10(18)7-3-2-6(12)4-8(7)13/h2-5H,1H3
InChIKeyIVQPQUWIWHEORP-UHFFFAOYSA-N
MW323.09 g/mol
LogP4.01
Rot. Bonds1

About 2-(4-bromo-2-fluorophenyl)-1-methyl-4-(trifluoromethyl)imidazole

2-(4-bromo-2-fluorophenyl)-1-methyl-4-(trifluoromethyl)imidazole (PubChem CID 168800104) has the molecular formula C11H7BrF4N2 and a molecular weight of 323.09 g/mol. Its IUPAC name is 2-(4-bromo-2-fluorophenyl)-1-methyl-4-(trifluoromethyl)imidazole.

Molecular Properties

Compound Name2-(4-bromo-2-fluorophenyl)-1-methyl-4-(trifluoromethyl)imidazole
PubChem CID168800104
Molecular FormulaC11H7BrF4N2
Molecular Weight323.09 g/mol
Exact Mass321.97
IUPAC Name2-(4-bromo-2-fluorophenyl)-1-methyl-4-(trifluoromethyl)imidazole
SMILESCn1cc(C(F)(F)F)nc1-c1ccc(Br)cc1F
InChIInChI=1S/C11H7BrF4N2/c1-18-5-9(11(14,15)16)17-10(18)7-3-2-6(12)4-8(7)13/h2-5H,1H3
InChIKeyIVQPQUWIWHEORP-UHFFFAOYSA-N
XLogP4.01
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.09
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromo-2-ethenylphenyl)-1-methyl-4-(trifluoromethyl)imidazole
CID 171530473
[3-fluoro-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanamine
CID 129139635
2-(4-bromo-2-nitrophenyl)-1-methyl-4-(trifluoromethyl)imidazole
CID 171530562
2-[[2-(4-bromo-2-fluorophenyl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-dimethylsulfanium
CID 162566498
[2,5-difluoro-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanol
CID 172586154
5-bromo-2-chloro-N-[[3-fluoro-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrimidin-4-amine
CID 165400933
[3,5-difluoro-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanol
CID 164881273
5-chloro-7-[[3-fluoro-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]-[1,3]thiazolo[5,4-d]pyrimidine
CID 172584718
2-(4-bromo-2-methoxyphenyl)-1-cyclopropyl-4-(trifluoromethyl)imidazole
CID 170707376
methyl 3-chloro-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]benzoate
CID 172585882
methyl 3-fluoro-2-methoxy-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]benzoate
CID 172586392
4-[3,5-bis(4-bromo-2-fluorophenyl)-1,2,4-triazol-4-yl]-1-methylpiperidine
CID 170665494

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluorophenyl)-1-methyl-4-(trifluoromethyl)imidazole?
The IUPAC name of 2-(4-bromo-2-fluorophenyl)-1-methyl-4-(trifluoromethyl)imidazole (CID 168800104) is 2-(4-bromo-2-fluorophenyl)-1-methyl-4-(trifluoromethyl)imidazole.
What is the SMILES notation for 2-(4-bromo-2-fluorophenyl)-1-methyl-4-(trifluoromethyl)imidazole?
The canonical SMILES for 2-(4-bromo-2-fluorophenyl)-1-methyl-4-(trifluoromethyl)imidazole is Cn1cc(C(F)(F)F)nc1-c1ccc(Br)cc1F.
What is the InChIKey of 2-(4-bromo-2-fluorophenyl)-1-methyl-4-(trifluoromethyl)imidazole?
The InChIKey is IVQPQUWIWHEORP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrF4N2/c1-18-5-9(11(14,15)16)17-10(18)7-3-2-6(12)4-8(7)13/h2-5H,1H3.
What are the key properties of 2-(4-bromo-2-fluorophenyl)-1-methyl-4-(trifluoromethyl)imidazole?
2-(4-bromo-2-fluorophenyl)-1-methyl-4-(trifluoromethyl)imidazole has a molecular weight of 323.09 g/mol, XLogP of 4.01, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-fluorophenyl)-1-methyl-4-(trifluoromethyl)imidazole is sourced from PubChem (CID 168800104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).