4-bromo-1-methyl-2-[4-(trifluoromethyl)phenyl]imidazole

C11H8BrF3N2 — CID 172992944

IUPAC4-bromo-1-methyl-2-[4-(trifluoromethyl)phenyl]imidazole
SMILESCn1cc(Br)nc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H8BrF3N2/c1-17-6-9(12)16-10(17)7-2-4-8(5-3-7)11(13,14)15/h2-6H,1H3
InChIKeyDFQYWIWGPUIIHM-UHFFFAOYSA-N
MW305.10 g/mol
LogP3.87
Rot. Bonds1

About 4-bromo-1-methyl-2-[4-(trifluoromethyl)phenyl]imidazole

4-bromo-1-methyl-2-[4-(trifluoromethyl)phenyl]imidazole (PubChem CID 172992944) has the molecular formula C11H8BrF3N2 and a molecular weight of 305.10 g/mol. Its IUPAC name is 4-bromo-1-methyl-2-[4-(trifluoromethyl)phenyl]imidazole.

Molecular Properties

Compound Name4-bromo-1-methyl-2-[4-(trifluoromethyl)phenyl]imidazole
PubChem CID172992944
Molecular FormulaC11H8BrF3N2
Molecular Weight305.10 g/mol
Exact Mass303.98
IUPAC Name4-bromo-1-methyl-2-[4-(trifluoromethyl)phenyl]imidazole
SMILESCn1cc(Br)nc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H8BrF3N2/c1-17-6-9(12)16-10(17)7-2-4-8(5-3-7)11(13,14)15/h2-6H,1H3
InChIKeyDFQYWIWGPUIIHM-UHFFFAOYSA-N
XLogP3.87
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.10
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[4-(trifluoromethyl)phenyl]imidazole
CID 172644360
4,5-diiodo-1-methyl-2-[4-(trifluoromethyl)phenyl]imidazole
CID 67133119
1-methyl-4-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]phenyl]benzene
CID 59630308
N-[[6-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridin-1-yl]methyl]acetamide
CID 172515070
1-[3-methyl-6-(trifluoromethyl)imidazo[1,5-a]pyridin-1-yl]ethanone
CID 170088316
5-bromo-1-ethyl-2-[4-(trifluoromethyl)phenyl]imidazole
CID 117259482
[3,5-dimethyl-2-[4-(trifluoromethyl)phenyl]imidazol-4-yl]methanol
CID 122476397
1,5-dimethyl-2-[4-(trifluoromethyl)phenyl]imidazole-4-carbaldehyde
CID 15288233
2-(4-bromophenyl)-4-(difluoromethyl)-1-methylimidazole
CID 129139559
1-methyl-4-(3-methyl-4-phenylmethoxyphenyl)-2-[4-(trifluoromethyl)phenyl]imidazole
CID 58510139
2-bromo-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyridine
CID 57468624
3,5-difluoro-4-methyl-2-[1-methyl-4-(trifluoromethyl)pyrrol-2-yl]oxy-6-[4-(trifluoromethyl)phenyl]pyridine
CID 11750924

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-methyl-2-[4-(trifluoromethyl)phenyl]imidazole?
The IUPAC name of 4-bromo-1-methyl-2-[4-(trifluoromethyl)phenyl]imidazole (CID 172992944) is 4-bromo-1-methyl-2-[4-(trifluoromethyl)phenyl]imidazole.
What is the SMILES notation for 4-bromo-1-methyl-2-[4-(trifluoromethyl)phenyl]imidazole?
The canonical SMILES for 4-bromo-1-methyl-2-[4-(trifluoromethyl)phenyl]imidazole is Cn1cc(Br)nc1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 4-bromo-1-methyl-2-[4-(trifluoromethyl)phenyl]imidazole?
The InChIKey is DFQYWIWGPUIIHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrF3N2/c1-17-6-9(12)16-10(17)7-2-4-8(5-3-7)11(13,14)15/h2-6H,1H3.
What are the key properties of 4-bromo-1-methyl-2-[4-(trifluoromethyl)phenyl]imidazole?
4-bromo-1-methyl-2-[4-(trifluoromethyl)phenyl]imidazole has a molecular weight of 305.10 g/mol, XLogP of 3.87, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-methyl-2-[4-(trifluoromethyl)phenyl]imidazole is sourced from PubChem (CID 172992944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).