2-(4-bromo-2-ethenylphenyl)-1-methyl-4-(trifluoromethyl)imidazole

C13H10BrF3N2 — CID 171530473

IUPAC2-(4-bromo-2-ethenylphenyl)-1-methyl-4-(trifluoromethyl)imidazole
SMILESC=Cc1cc(Br)ccc1-c1nc(C(F)(F)F)cn1C
InChIInChI=1S/C13H10BrF3N2/c1-3-8-6-9(14)4-5-10(8)12-18-11(7-19(12)2)13(15,16)17/h3-7H,1H2,2H3
InChIKeyUUWSQMYASKHUAP-UHFFFAOYSA-N
MW331.14 g/mol
LogP4.51
Rot. Bonds2

About 2-(4-bromo-2-ethenylphenyl)-1-methyl-4-(trifluoromethyl)imidazole

2-(4-bromo-2-ethenylphenyl)-1-methyl-4-(trifluoromethyl)imidazole (PubChem CID 171530473) has the molecular formula C13H10BrF3N2 and a molecular weight of 331.14 g/mol. Its IUPAC name is 2-(4-bromo-2-ethenylphenyl)-1-methyl-4-(trifluoromethyl)imidazole.

Molecular Properties

Compound Name2-(4-bromo-2-ethenylphenyl)-1-methyl-4-(trifluoromethyl)imidazole
PubChem CID171530473
Molecular FormulaC13H10BrF3N2
Molecular Weight331.14 g/mol
Exact Mass330.00
IUPAC Name2-(4-bromo-2-ethenylphenyl)-1-methyl-4-(trifluoromethyl)imidazole
SMILESC=Cc1cc(Br)ccc1-c1nc(C(F)(F)F)cn1C
InChIInChI=1S/C13H10BrF3N2/c1-3-8-6-9(14)4-5-10(8)12-18-11(7-19(12)2)13(15,16)17/h3-7H,1H2,2H3
InChIKeyUUWSQMYASKHUAP-UHFFFAOYSA-N
XLogP4.51
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.14
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-ethenylphenyl)-1-methyl-4-(trifluoromethyl)imidazole?
The IUPAC name of 2-(4-bromo-2-ethenylphenyl)-1-methyl-4-(trifluoromethyl)imidazole (CID 171530473) is 2-(4-bromo-2-ethenylphenyl)-1-methyl-4-(trifluoromethyl)imidazole.
What is the SMILES notation for 2-(4-bromo-2-ethenylphenyl)-1-methyl-4-(trifluoromethyl)imidazole?
The canonical SMILES for 2-(4-bromo-2-ethenylphenyl)-1-methyl-4-(trifluoromethyl)imidazole is C=Cc1cc(Br)ccc1-c1nc(C(F)(F)F)cn1C.
What is the InChIKey of 2-(4-bromo-2-ethenylphenyl)-1-methyl-4-(trifluoromethyl)imidazole?
The InChIKey is UUWSQMYASKHUAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrF3N2/c1-3-8-6-9(14)4-5-10(8)12-18-11(7-19(12)2)13(15,16)17/h3-7H,1H2,2H3.
What are the key properties of 2-(4-bromo-2-ethenylphenyl)-1-methyl-4-(trifluoromethyl)imidazole?
2-(4-bromo-2-ethenylphenyl)-1-methyl-4-(trifluoromethyl)imidazole has a molecular weight of 331.14 g/mol, XLogP of 4.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-ethenylphenyl)-1-methyl-4-(trifluoromethyl)imidazole is sourced from PubChem (CID 171530473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).