2-[(3-bromo-4-chlorophenyl)methyl]-1-(2,2,2-trifluoroethyl)imidazole

C12H9BrClF3N2 — CID 82561970

IUPAC2-[(3-bromo-4-chlorophenyl)methyl]-1-(2,2,2-trifluoroethyl)imidazole
SMILESFC(F)(F)Cn1ccnc1Cc1ccc(Cl)c(Br)c1
InChIInChI=1S/C12H9BrClF3N2/c13-9-5-8(1-2-10(9)14)6-11-18-3-4-19(11)7-12(15,16)17/h1-5H,6-7H2
InChIKeyPTHJDHXCCJMWII-UHFFFAOYSA-N
MW353.57 g/mol
LogP4.45
Rot. Bonds3

About 2-[(3-bromo-4-chlorophenyl)methyl]-1-(2,2,2-trifluoroethyl)imidazole

2-[(3-bromo-4-chlorophenyl)methyl]-1-(2,2,2-trifluoroethyl)imidazole (PubChem CID 82561970) has the molecular formula C12H9BrClF3N2 and a molecular weight of 353.57 g/mol. Its IUPAC name is 2-[(3-bromo-4-chlorophenyl)methyl]-1-(2,2,2-trifluoroethyl)imidazole.

Molecular Properties

Compound Name2-[(3-bromo-4-chlorophenyl)methyl]-1-(2,2,2-trifluoroethyl)imidazole
PubChem CID82561970
Molecular FormulaC12H9BrClF3N2
Molecular Weight353.57 g/mol
Exact Mass351.96
IUPAC Name2-[(3-bromo-4-chlorophenyl)methyl]-1-(2,2,2-trifluoroethyl)imidazole
SMILESFC(F)(F)Cn1ccnc1Cc1ccc(Cl)c(Br)c1
InChIInChI=1S/C12H9BrClF3N2/c13-9-5-8(1-2-10(9)14)6-11-18-3-4-19(11)7-12(15,16)17/h1-5H,6-7H2
InChIKeyPTHJDHXCCJMWII-UHFFFAOYSA-N
XLogP4.45
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.57
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(4-Chlorophenyl)propyl]imidazole
CID 9991046
1-[4-(4-chlorophenyl)butyl]-1H-imidazole
CID 25141505
1H-Imidazole, 1-[2-(4-chlorophenyl)ethyl]-
CID 10330640
1-[2-(2-Bromophenyl)-3-(4-chlorophenyl)propyl]imidazole
CID 3006889
Antifungal agent 56
CID 162665732
8-(4-Chlorophenyl)-5,5,6,6-tetrafluoro-7,8-dihydroimidazo[1,2-a]pyridine
CID 134955798
1-[3-(4-Chlorophenyl)propyl]-2-(1-fluoroethyl)imidazole
CID 135387011
1-[3-(4-Chlorophenyl)propyl]-4-fluoroimidazole
CID 135387252
1-[3-(4-Chlorophenyl)propyl]-2-(1,1-difluoroethyl)imidazole
CID 142479579
2-[[4-Chloro-2-(trifluoromethyl)phenyl]methyl]-1-cyclobutylimidazole
CID 146504389
2-[1-(3-Bromophenyl)-3,3-difluorocyclobutyl]-1-methylimidazole
CID 169938565
2-[1-(3-Bromophenyl)-1-fluoroethyl]-1-methylimidazole
CID 170736938

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-4-chlorophenyl)methyl]-1-(2,2,2-trifluoroethyl)imidazole?
The IUPAC name of 2-[(3-bromo-4-chlorophenyl)methyl]-1-(2,2,2-trifluoroethyl)imidazole (CID 82561970) is 2-[(3-bromo-4-chlorophenyl)methyl]-1-(2,2,2-trifluoroethyl)imidazole.
What is the SMILES notation for 2-[(3-bromo-4-chlorophenyl)methyl]-1-(2,2,2-trifluoroethyl)imidazole?
The canonical SMILES for 2-[(3-bromo-4-chlorophenyl)methyl]-1-(2,2,2-trifluoroethyl)imidazole is FC(F)(F)Cn1ccnc1Cc1ccc(Cl)c(Br)c1.
What is the InChIKey of 2-[(3-bromo-4-chlorophenyl)methyl]-1-(2,2,2-trifluoroethyl)imidazole?
The InChIKey is PTHJDHXCCJMWII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrClF3N2/c13-9-5-8(1-2-10(9)14)6-11-18-3-4-19(11)7-12(15,16)17/h1-5H,6-7H2.
What are the key properties of 2-[(3-bromo-4-chlorophenyl)methyl]-1-(2,2,2-trifluoroethyl)imidazole?
2-[(3-bromo-4-chlorophenyl)methyl]-1-(2,2,2-trifluoroethyl)imidazole has a molecular weight of 353.57 g/mol, XLogP of 4.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-4-chlorophenyl)methyl]-1-(2,2,2-trifluoroethyl)imidazole is sourced from PubChem (CID 82561970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).