1,2,5-trimethyl-4-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]imidazole

C10H13F3N2 — CID 126580879

IUPAC1,2,5-trimethyl-4-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]imidazole
SMILESC/C(=C\c1nc(C)n(C)c1C)C(F)(F)F
InChIInChI=1S/C10H13F3N2/c1-6(10(11,12)13)5-9-7(2)15(4)8(3)14-9/h5H,1-4H3/b6-5+
InChIKeyGRYMCBKTDXZSSN-AATRIKPKSA-N
MW218.22 g/mol
LogP3.00
Rot. Bonds1

About 1,2,5-trimethyl-4-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]imidazole

1,2,5-trimethyl-4-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]imidazole (PubChem CID 126580879) has the molecular formula C10H13F3N2 and a molecular weight of 218.22 g/mol. Its IUPAC name is 1,2,5-trimethyl-4-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]imidazole.

Molecular Properties

Compound Name1,2,5-trimethyl-4-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]imidazole
PubChem CID126580879
Molecular FormulaC10H13F3N2
Molecular Weight218.22 g/mol
Exact Mass218.10
IUPAC Name1,2,5-trimethyl-4-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]imidazole
SMILESC/C(=C\c1nc(C)n(C)c1C)C(F)(F)F
InChIInChI=1S/C10H13F3N2/c1-6(10(11,12)13)5-9-7(2)15(4)8(3)14-9/h5H,1-4H3/b6-5+
InChIKeyGRYMCBKTDXZSSN-AATRIKPKSA-N
XLogP3.00
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,5-trimethyl-4-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]imidazole?
The IUPAC name of 1,2,5-trimethyl-4-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]imidazole (CID 126580879) is 1,2,5-trimethyl-4-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]imidazole.
What is the SMILES notation for 1,2,5-trimethyl-4-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]imidazole?
The canonical SMILES for 1,2,5-trimethyl-4-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]imidazole is C/C(=C\c1nc(C)n(C)c1C)C(F)(F)F.
What is the InChIKey of 1,2,5-trimethyl-4-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]imidazole?
The InChIKey is GRYMCBKTDXZSSN-AATRIKPKSA-N. The full InChI is InChI=1S/C10H13F3N2/c1-6(10(11,12)13)5-9-7(2)15(4)8(3)14-9/h5H,1-4H3/b6-5+.
What are the key properties of 1,2,5-trimethyl-4-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]imidazole?
1,2,5-trimethyl-4-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]imidazole has a molecular weight of 218.22 g/mol, XLogP of 3.00, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,5-trimethyl-4-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]imidazole is sourced from PubChem (CID 126580879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).