4,5-bis(ethenyl)-2-(trifluoromethyl)-1H-imidazole

C8H7F3N2 — CID 58435902

IUPAC4,5-bis(ethenyl)-2-(trifluoromethyl)-1H-imidazole
SMILESC=Cc1nc(C(F)(F)F)[nH]c1C=C
InChIInChI=1S/C8H7F3N2/c1-3-5-6(4-2)13-7(12-5)8(9,10)11/h3-4H,1-2H2,(H,12,13)
InChIKeyYQTNSKGCOLQNAS-UHFFFAOYSA-N
MW188.15 g/mol
LogP2.71
Rot. Bonds2

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

4,5-bis(ethenyl)-2-(trifluoromethyl)-1H-imidazole (PubChem CID 58435902) has the molecular formula C8H7F3N2 and a molecular weight of 188.15 g/mol. Its IUPAC name is 4,5-bis(ethenyl)-2-(trifluoromethyl)-1H-imidazole.

Molecular Properties

Compound Name4,5-bis(ethenyl)-2-(trifluoromethyl)-1H-imidazole
PubChem CID58435902
Molecular FormulaC8H7F3N2
Molecular Weight188.15 g/mol
Exact Mass188.06
IUPAC Name4,5-bis(ethenyl)-2-(trifluoromethyl)-1H-imidazole
SMILESC=Cc1nc(C(F)(F)F)[nH]c1C=C
InChIInChI=1S/C8H7F3N2/c1-3-5-6(4-2)13-7(12-5)8(9,10)11/h3-4H,1-2H2,(H,12,13)
InChIKeyYQTNSKGCOLQNAS-UHFFFAOYSA-N
XLogP2.71
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.15
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,5-bis(ethenyl)-2-(trifluoromethyl)-1H-imidazole?
The IUPAC name of 4,5-bis(ethenyl)-2-(trifluoromethyl)-1H-imidazole (CID 58435902) is 4,5-bis(ethenyl)-2-(trifluoromethyl)-1H-imidazole.
What is the SMILES notation for 4,5-bis(ethenyl)-2-(trifluoromethyl)-1H-imidazole?
The canonical SMILES for 4,5-bis(ethenyl)-2-(trifluoromethyl)-1H-imidazole is C=Cc1nc(C(F)(F)F)[nH]c1C=C.
What is the InChIKey of 4,5-bis(ethenyl)-2-(trifluoromethyl)-1H-imidazole?
The InChIKey is YQTNSKGCOLQNAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N2/c1-3-5-6(4-2)13-7(12-5)8(9,10)11/h3-4H,1-2H2,(H,12,13).
What are the key properties of 4,5-bis(ethenyl)-2-(trifluoromethyl)-1H-imidazole?
4,5-bis(ethenyl)-2-(trifluoromethyl)-1H-imidazole has a molecular weight of 188.15 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(ethenyl)-2-(trifluoromethyl)-1H-imidazole is sourced from PubChem (CID 58435902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).