2-(4-bromo-2-ethoxyphenyl)-5-(trifluoromethyl)-1H-imidazole

C12H10BrF3N2O — CID 170092769

IUPAC2-(4-bromo-2-ethoxyphenyl)-5-(trifluoromethyl)-1H-imidazole
SMILESCCOc1cc(Br)ccc1-c1ncc(C(F)(F)F)[nH]1
InChIInChI=1S/C12H10BrF3N2O/c1-2-19-9-5-7(13)3-4-8(9)11-17-6-10(18-11)12(14,15)16/h3-6H,2H2,1H3,(H,17,18)
InChIKeyDCMTXJOPQYPFDE-UHFFFAOYSA-N
MW335.12 g/mol
LogP4.26
Rot. Bonds3

About 2-(4-bromo-2-ethoxyphenyl)-5-(trifluoromethyl)-1H-imidazole

2-(4-bromo-2-ethoxyphenyl)-5-(trifluoromethyl)-1H-imidazole (PubChem CID 170092769) has the molecular formula C12H10BrF3N2O and a molecular weight of 335.12 g/mol. Its IUPAC name is 2-(4-bromo-2-ethoxyphenyl)-5-(trifluoromethyl)-1H-imidazole.

Molecular Properties

Compound Name2-(4-bromo-2-ethoxyphenyl)-5-(trifluoromethyl)-1H-imidazole
PubChem CID170092769
Molecular FormulaC12H10BrF3N2O
Molecular Weight335.12 g/mol
Exact Mass333.99
IUPAC Name2-(4-bromo-2-ethoxyphenyl)-5-(trifluoromethyl)-1H-imidazole
SMILESCCOc1cc(Br)ccc1-c1ncc(C(F)(F)F)[nH]1
InChIInChI=1S/C12H10BrF3N2O/c1-2-19-9-5-7(13)3-4-8(9)11-17-6-10(18-11)12(14,15)16/h3-6H,2H2,1H3,(H,17,18)
InChIKeyDCMTXJOPQYPFDE-UHFFFAOYSA-N
XLogP4.26
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.12
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methoxy-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]benzonitrile
CID 165135117
1-[2-[4-bromo-2-(trifluoromethyl)phenyl]-1H-imidazol-5-yl]-N-methylmethanamine
CID 55178437
ethyl 2-(4-bromo-2-fluorophenyl)-1H-imidazole-5-carboxylate
CID 85472879
5-(4-bromo-2-ethoxyphenyl)-1,2-oxazol-3-one
CID 135380840
2-(4-bromo-2-propoxyphenyl)-1H-benzimidazole
CID 168554331
2-(4-bromo-2-ethoxyphenyl)-1,3-benzoxazole
CID 135333421
2-[3-(methoxymethoxy)phenyl]-5-(trifluoromethyl)-1H-imidazole
CID 22759806
4-bromo-2-(5-ethoxy-2,4-difluorophenyl)-5-(trifluoromethyl)-1H-imidazole
CID 20551860
5-amino-4-[amino-[(4-methoxyphenyl)methyl]amino]-2-(4-bromo-2-ethoxyphenyl)-1H-pyrimidin-6-one
CID 154661705
4-bromo-1-ethoxy-2-iodobenzene
CID 81479588
5-(4-bromo-2-ethoxyphenyl)-4-chloro-1,3-diethylpyrazole
CID 153296114
(1R)-1-(4-bromo-2-ethoxyphenyl)ethanol
CID 102948595

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-ethoxyphenyl)-5-(trifluoromethyl)-1H-imidazole?
The IUPAC name of 2-(4-bromo-2-ethoxyphenyl)-5-(trifluoromethyl)-1H-imidazole (CID 170092769) is 2-(4-bromo-2-ethoxyphenyl)-5-(trifluoromethyl)-1H-imidazole.
What is the SMILES notation for 2-(4-bromo-2-ethoxyphenyl)-5-(trifluoromethyl)-1H-imidazole?
The canonical SMILES for 2-(4-bromo-2-ethoxyphenyl)-5-(trifluoromethyl)-1H-imidazole is CCOc1cc(Br)ccc1-c1ncc(C(F)(F)F)[nH]1.
What is the InChIKey of 2-(4-bromo-2-ethoxyphenyl)-5-(trifluoromethyl)-1H-imidazole?
The InChIKey is DCMTXJOPQYPFDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrF3N2O/c1-2-19-9-5-7(13)3-4-8(9)11-17-6-10(18-11)12(14,15)16/h3-6H,2H2,1H3,(H,17,18).
What are the key properties of 2-(4-bromo-2-ethoxyphenyl)-5-(trifluoromethyl)-1H-imidazole?
2-(4-bromo-2-ethoxyphenyl)-5-(trifluoromethyl)-1H-imidazole has a molecular weight of 335.12 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-ethoxyphenyl)-5-(trifluoromethyl)-1H-imidazole is sourced from PubChem (CID 170092769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).