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

C10H13F3N2 — CID 144656087

IUPAC5-ethenyl-2-methyl-1-propyl-4-(trifluoromethyl)imidazole
SMILESC=Cc1c(C(F)(F)F)nc(C)n1CCC
InChIInChI=1S/C10H13F3N2/c1-4-6-15-7(3)14-9(8(15)5-2)10(11,12)13/h5H,2,4,6H2,1,3H3
InChIKeySJDVYYFGPNDCRO-UHFFFAOYSA-N
MW218.22 g/mol
LogP3.26
Rot. Bonds3

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

5-ethenyl-2-methyl-1-propyl-4-(trifluoromethyl)imidazole (PubChem CID 144656087) has the molecular formula C10H13F3N2 and a molecular weight of 218.22 g/mol. Its IUPAC name is 5-ethenyl-2-methyl-1-propyl-4-(trifluoromethyl)imidazole.

Molecular Properties

Compound Name5-ethenyl-2-methyl-1-propyl-4-(trifluoromethyl)imidazole
PubChem CID144656087
Molecular FormulaC10H13F3N2
Molecular Weight218.22 g/mol
Exact Mass218.10
IUPAC Name5-ethenyl-2-methyl-1-propyl-4-(trifluoromethyl)imidazole
SMILESC=Cc1c(C(F)(F)F)nc(C)n1CCC
InChIInChI=1S/C10H13F3N2/c1-4-6-15-7(3)14-9(8(15)5-2)10(11,12)13/h5H,2,4,6H2,1,3H3
InChIKeySJDVYYFGPNDCRO-UHFFFAOYSA-N
XLogP3.26
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-2-methyl-1-propyl-4-(trifluoromethyl)imidazole?
The IUPAC name of 5-ethenyl-2-methyl-1-propyl-4-(trifluoromethyl)imidazole (CID 144656087) is 5-ethenyl-2-methyl-1-propyl-4-(trifluoromethyl)imidazole.
What is the SMILES notation for 5-ethenyl-2-methyl-1-propyl-4-(trifluoromethyl)imidazole?
The canonical SMILES for 5-ethenyl-2-methyl-1-propyl-4-(trifluoromethyl)imidazole is C=Cc1c(C(F)(F)F)nc(C)n1CCC.
What is the InChIKey of 5-ethenyl-2-methyl-1-propyl-4-(trifluoromethyl)imidazole?
The InChIKey is SJDVYYFGPNDCRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2/c1-4-6-15-7(3)14-9(8(15)5-2)10(11,12)13/h5H,2,4,6H2,1,3H3.
What are the key properties of 5-ethenyl-2-methyl-1-propyl-4-(trifluoromethyl)imidazole?
5-ethenyl-2-methyl-1-propyl-4-(trifluoromethyl)imidazole has a molecular weight of 218.22 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-2-methyl-1-propyl-4-(trifluoromethyl)imidazole is sourced from PubChem (CID 144656087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).