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

C12H10BrF3N2 — CID 117259482

IUPAC5-bromo-1-ethyl-2-[4-(trifluoromethyl)phenyl]imidazole
SMILESCCn1c(Br)cnc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H10BrF3N2/c1-2-18-10(13)7-17-11(18)8-3-5-9(6-4-8)12(14,15)16/h3-7H,2H2,1H3
InChIKeyPWXXPEUEOMNSAW-UHFFFAOYSA-N
MW319.12 g/mol
LogP4.35
Rot. Bonds2

About 5-bromo-1-ethyl-2-[4-(trifluoromethyl)phenyl]imidazole

5-bromo-1-ethyl-2-[4-(trifluoromethyl)phenyl]imidazole (PubChem CID 117259482) has the molecular formula C12H10BrF3N2 and a molecular weight of 319.12 g/mol. Its IUPAC name is 5-bromo-1-ethyl-2-[4-(trifluoromethyl)phenyl]imidazole.

Molecular Properties

Compound Name5-bromo-1-ethyl-2-[4-(trifluoromethyl)phenyl]imidazole
PubChem CID117259482
Molecular FormulaC12H10BrF3N2
Molecular Weight319.12 g/mol
Exact Mass318.00
IUPAC Name5-bromo-1-ethyl-2-[4-(trifluoromethyl)phenyl]imidazole
SMILESCCn1c(Br)cnc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H10BrF3N2/c1-2-18-10(13)7-17-11(18)8-3-5-9(6-4-8)12(14,15)16/h3-7H,2H2,1H3
InChIKeyPWXXPEUEOMNSAW-UHFFFAOYSA-N
XLogP4.35
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.12
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-bromo-1-ethyl-2-[4-(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-[[2,5-bis[4-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 46895437
5-(chloromethyl)-1-methyl-2-[4-(trifluoromethyl)phenyl]imidazole;hydrochloride
CID 44818483
5-methyl-1-propan-2-yl-2-[4-(trifluoromethyl)phenyl]imidazole
CID 19430211
5-chloro-1-ethyl-2-(4-methylphenyl)imidazole
CID 117259483
4-bromo-1-methyl-2-[4-(trifluoromethyl)phenyl]imidazole
CID 172992944
1-butyl-2-phenyl-5-(trifluoromethyl)imidazole
CID 175241563
1-methyl-4-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]phenyl]benzene
CID 59630308
7-bromo-1-butyl-2-[4-(trifluoromethyl)phenyl]benzimidazole
CID 100949605
2-(4-methoxyphenyl)-1-methyl-5-[4-(trifluoromethyl)phenyl]imidazole
CID 53243372
4-(5-chloro-1-ethylimidazol-2-yl)phenol
CID 137000636
3-ethyl-2-propan-2-yl-5-[4-(trifluoromethyl)phenyl]imidazol-4-amine
CID 62218375
methyl 3-methyl-2-[4-(trifluoromethyl)phenyl]imidazole-4-carboxylate
CID 44818303

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-ethyl-2-[4-(trifluoromethyl)phenyl]imidazole?
The IUPAC name of 5-bromo-1-ethyl-2-[4-(trifluoromethyl)phenyl]imidazole (CID 117259482) is 5-bromo-1-ethyl-2-[4-(trifluoromethyl)phenyl]imidazole.
What is the SMILES notation for 5-bromo-1-ethyl-2-[4-(trifluoromethyl)phenyl]imidazole?
The canonical SMILES for 5-bromo-1-ethyl-2-[4-(trifluoromethyl)phenyl]imidazole is CCn1c(Br)cnc1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 5-bromo-1-ethyl-2-[4-(trifluoromethyl)phenyl]imidazole?
The InChIKey is PWXXPEUEOMNSAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrF3N2/c1-2-18-10(13)7-17-11(18)8-3-5-9(6-4-8)12(14,15)16/h3-7H,2H2,1H3.
What are the key properties of 5-bromo-1-ethyl-2-[4-(trifluoromethyl)phenyl]imidazole?
5-bromo-1-ethyl-2-[4-(trifluoromethyl)phenyl]imidazole has a molecular weight of 319.12 g/mol, XLogP of 4.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-ethyl-2-[4-(trifluoromethyl)phenyl]imidazole is sourced from PubChem (CID 117259482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).