2-bromo-1-methyl-5-[2-(trifluoromethyl)phenyl]imidazole

C11H8BrF3N2 — CID 117259923

IUPAC2-bromo-1-methyl-5-[2-(trifluoromethyl)phenyl]imidazole
SMILESCn1c(-c2ccccc2C(F)(F)F)cnc1Br
InChIInChI=1S/C11H8BrF3N2/c1-17-9(6-16-10(17)12)7-4-2-3-5-8(7)11(13,14)15/h2-6H,1H3
InChIKeyAPTOOZAEMLXNDI-UHFFFAOYSA-N
MW305.10 g/mol
LogP3.87
Rot. Bonds1

About 2-bromo-1-methyl-5-[2-(trifluoromethyl)phenyl]imidazole

2-bromo-1-methyl-5-[2-(trifluoromethyl)phenyl]imidazole (PubChem CID 117259923) has the molecular formula C11H8BrF3N2 and a molecular weight of 305.10 g/mol. Its IUPAC name is 2-bromo-1-methyl-5-[2-(trifluoromethyl)phenyl]imidazole.

Molecular Properties

Compound Name2-bromo-1-methyl-5-[2-(trifluoromethyl)phenyl]imidazole
PubChem CID117259923
Molecular FormulaC11H8BrF3N2
Molecular Weight305.10 g/mol
Exact Mass303.98
IUPAC Name2-bromo-1-methyl-5-[2-(trifluoromethyl)phenyl]imidazole
SMILESCn1c(-c2ccccc2C(F)(F)F)cnc1Br
InChIInChI=1S/C11H8BrF3N2/c1-17-9(6-16-10(17)12)7-4-2-3-5-8(7)11(13,14)15/h2-6H,1H3
InChIKeyAPTOOZAEMLXNDI-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

Analyze 2-bromo-1-methyl-5-[2-(trifluoromethyl)phenyl]imidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-5-(2-chlorophenyl)-1-methylimidazole
CID 117259931
1-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]benzene
CID 3013906
4-methoxy-5-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]pyridine
CID 134628438
2,3-dimethyl-5-[2-(trifluoromethyl)phenyl]pyridine
CID 145031967
5-methyl-2,4-bis[2-(trifluoromethyl)phenyl]pyrimidine
CID 174722143
5-(2-bromophenyl)-2-chloro-1-methylimidazole
CID 117259928
3-methoxy-5-[2-(trifluoromethyl)phenyl]pyridine
CID 134627152
4-fluoro-3,5-bis[2-(trifluoromethyl)phenyl]pyridine
CID 133089510
5-chloro-2-[2-(trifluoromethyl)phenyl]-1,3-oxazole
CID 117258904
2-chloro-5-[2-(trifluoromethyl)phenyl]-1,3-oxazole
CID 71227633
5-bromo-2-[4-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]imidazol-1-yl]pyridine
CID 15947176
5-fluoro-2-methoxy-4-[2-(trifluoromethyl)phenyl]pyridine
CID 133089593

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-methyl-5-[2-(trifluoromethyl)phenyl]imidazole?
The IUPAC name of 2-bromo-1-methyl-5-[2-(trifluoromethyl)phenyl]imidazole (CID 117259923) is 2-bromo-1-methyl-5-[2-(trifluoromethyl)phenyl]imidazole.
What is the SMILES notation for 2-bromo-1-methyl-5-[2-(trifluoromethyl)phenyl]imidazole?
The canonical SMILES for 2-bromo-1-methyl-5-[2-(trifluoromethyl)phenyl]imidazole is Cn1c(-c2ccccc2C(F)(F)F)cnc1Br.
What is the InChIKey of 2-bromo-1-methyl-5-[2-(trifluoromethyl)phenyl]imidazole?
The InChIKey is APTOOZAEMLXNDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrF3N2/c1-17-9(6-16-10(17)12)7-4-2-3-5-8(7)11(13,14)15/h2-6H,1H3.
What are the key properties of 2-bromo-1-methyl-5-[2-(trifluoromethyl)phenyl]imidazole?
2-bromo-1-methyl-5-[2-(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 2-bromo-1-methyl-5-[2-(trifluoromethyl)phenyl]imidazole is sourced from PubChem (CID 117259923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).