4-ethenyl-5-[(Z)-prop-1-enyl]-2-(trifluoromethyl)-1H-imidazole

C9H9F3N2 — CID 142004201

IUPAC4-ethenyl-5-[(Z)-prop-1-enyl]-2-(trifluoromethyl)-1H-imidazole
SMILESC=Cc1nc(C(F)(F)F)[nH]c1/C=C\C
InChIInChI=1S/C9H9F3N2/c1-3-5-7-6(4-2)13-8(14-7)9(10,11)12/h3-5H,2H2,1H3,(H,13,14)/b5-3-
InChIKeyZQWNORWLSSFYCR-HYXAFXHYSA-N
MW202.18 g/mol
LogP3.10
Rot. Bonds2

About 4-ethenyl-5-[(Z)-prop-1-enyl]-2-(trifluoromethyl)-1H-imidazole

4-ethenyl-5-[(Z)-prop-1-enyl]-2-(trifluoromethyl)-1H-imidazole (PubChem CID 142004201) has the molecular formula C9H9F3N2 and a molecular weight of 202.18 g/mol. Its IUPAC name is 4-ethenyl-5-[(Z)-prop-1-enyl]-2-(trifluoromethyl)-1H-imidazole.

Molecular Properties

Compound Name4-ethenyl-5-[(Z)-prop-1-enyl]-2-(trifluoromethyl)-1H-imidazole
PubChem CID142004201
Molecular FormulaC9H9F3N2
Molecular Weight202.18 g/mol
Exact Mass202.07
IUPAC Name4-ethenyl-5-[(Z)-prop-1-enyl]-2-(trifluoromethyl)-1H-imidazole
SMILESC=Cc1nc(C(F)(F)F)[nH]c1/C=C\C
InChIInChI=1S/C9H9F3N2/c1-3-5-7-6(4-2)13-8(14-7)9(10,11)12/h3-5H,2H2,1H3,(H,13,14)/b5-3-
InChIKeyZQWNORWLSSFYCR-HYXAFXHYSA-N
XLogP3.10
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.18
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-5-[(Z)-prop-1-enyl]-2-(trifluoromethyl)-1H-imidazole?
The IUPAC name of 4-ethenyl-5-[(Z)-prop-1-enyl]-2-(trifluoromethyl)-1H-imidazole (CID 142004201) is 4-ethenyl-5-[(Z)-prop-1-enyl]-2-(trifluoromethyl)-1H-imidazole.
What is the SMILES notation for 4-ethenyl-5-[(Z)-prop-1-enyl]-2-(trifluoromethyl)-1H-imidazole?
The canonical SMILES for 4-ethenyl-5-[(Z)-prop-1-enyl]-2-(trifluoromethyl)-1H-imidazole is C=Cc1nc(C(F)(F)F)[nH]c1/C=C\C.
What is the InChIKey of 4-ethenyl-5-[(Z)-prop-1-enyl]-2-(trifluoromethyl)-1H-imidazole?
The InChIKey is ZQWNORWLSSFYCR-HYXAFXHYSA-N. The full InChI is InChI=1S/C9H9F3N2/c1-3-5-7-6(4-2)13-8(14-7)9(10,11)12/h3-5H,2H2,1H3,(H,13,14)/b5-3-.
What are the key properties of 4-ethenyl-5-[(Z)-prop-1-enyl]-2-(trifluoromethyl)-1H-imidazole?
4-ethenyl-5-[(Z)-prop-1-enyl]-2-(trifluoromethyl)-1H-imidazole has a molecular weight of 202.18 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-5-[(Z)-prop-1-enyl]-2-(trifluoromethyl)-1H-imidazole is sourced from PubChem (CID 142004201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).