4-ethenyl-2-methyl-5-(trifluoromethyl)-1H-imidazole

C7H7F3N2 — CID 86724375

IUPAC4-ethenyl-2-methyl-5-(trifluoromethyl)-1H-imidazole
SMILESC=Cc1nc(C)[nH]c1C(F)(F)F
InChIInChI=1S/C7H7F3N2/c1-3-5-6(7(8,9)10)12-4(2)11-5/h3H,1H2,2H3,(H,11,12)
InChIKeyCVSGYYHJEOZREQ-UHFFFAOYSA-N
MW176.14 g/mol
LogP2.38
Rot. Bonds1

About 4-ethenyl-2-methyl-5-(trifluoromethyl)-1H-imidazole

4-ethenyl-2-methyl-5-(trifluoromethyl)-1H-imidazole (PubChem CID 86724375) has the molecular formula C7H7F3N2 and a molecular weight of 176.14 g/mol. Its IUPAC name is 4-ethenyl-2-methyl-5-(trifluoromethyl)-1H-imidazole.

Molecular Properties

Compound Name4-ethenyl-2-methyl-5-(trifluoromethyl)-1H-imidazole
PubChem CID86724375
Molecular FormulaC7H7F3N2
Molecular Weight176.14 g/mol
Exact Mass176.06
IUPAC Name4-ethenyl-2-methyl-5-(trifluoromethyl)-1H-imidazole
SMILESC=Cc1nc(C)[nH]c1C(F)(F)F
InChIInChI=1S/C7H7F3N2/c1-3-5-6(7(8,9)10)12-4(2)11-5/h3H,1H2,2H3,(H,11,12)
InChIKeyCVSGYYHJEOZREQ-UHFFFAOYSA-N
XLogP2.38
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.14
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-2-methyl-5-(trifluoromethyl)-1H-imidazole?
The IUPAC name of 4-ethenyl-2-methyl-5-(trifluoromethyl)-1H-imidazole (CID 86724375) is 4-ethenyl-2-methyl-5-(trifluoromethyl)-1H-imidazole.
What is the SMILES notation for 4-ethenyl-2-methyl-5-(trifluoromethyl)-1H-imidazole?
The canonical SMILES for 4-ethenyl-2-methyl-5-(trifluoromethyl)-1H-imidazole is C=Cc1nc(C)[nH]c1C(F)(F)F.
What is the InChIKey of 4-ethenyl-2-methyl-5-(trifluoromethyl)-1H-imidazole?
The InChIKey is CVSGYYHJEOZREQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2/c1-3-5-6(7(8,9)10)12-4(2)11-5/h3H,1H2,2H3,(H,11,12).
What are the key properties of 4-ethenyl-2-methyl-5-(trifluoromethyl)-1H-imidazole?
4-ethenyl-2-methyl-5-(trifluoromethyl)-1H-imidazole has a molecular weight of 176.14 g/mol, XLogP of 2.38, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-2-methyl-5-(trifluoromethyl)-1H-imidazole is sourced from PubChem (CID 86724375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).