2-ethyl-5-(trifluoromethyl)-1H-imidazole

C6H7F3N2 — CID 11367186

IUPAC2-ethyl-5-(trifluoromethyl)-1H-imidazole
SMILESCCc1ncc(C(F)(F)F)[nH]1
InChIInChI=1S/C6H7F3N2/c1-2-5-10-3-4(11-5)6(7,8)9/h3H,2H2,1H3,(H,10,11)
InChIKeyZHSZKIHCLQCPNL-UHFFFAOYSA-N
MW164.13 g/mol
LogP1.99
Rot. Bonds1

About 2-ethyl-5-(trifluoromethyl)-1H-imidazole

2-ethyl-5-(trifluoromethyl)-1H-imidazole (PubChem CID 11367186) has the molecular formula C6H7F3N2 and a molecular weight of 164.13 g/mol. Its IUPAC name is 2-ethyl-5-(trifluoromethyl)-1H-imidazole.

Molecular Properties

Compound Name2-ethyl-5-(trifluoromethyl)-1H-imidazole
PubChem CID11367186
Molecular FormulaC6H7F3N2
Molecular Weight164.13 g/mol
Exact Mass164.06
IUPAC Name2-ethyl-5-(trifluoromethyl)-1H-imidazole
SMILESCCc1ncc(C(F)(F)F)[nH]1
InChIInChI=1S/C6H7F3N2/c1-2-5-10-3-4(11-5)6(7,8)9/h3H,2H2,1H3,(H,10,11)
InChIKeyZHSZKIHCLQCPNL-UHFFFAOYSA-N
XLogP1.99
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.13
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-(trifluoromethyl)-1H-imidazole?
The IUPAC name of 2-ethyl-5-(trifluoromethyl)-1H-imidazole (CID 11367186) is 2-ethyl-5-(trifluoromethyl)-1H-imidazole.
What is the SMILES notation for 2-ethyl-5-(trifluoromethyl)-1H-imidazole?
The canonical SMILES for 2-ethyl-5-(trifluoromethyl)-1H-imidazole is CCc1ncc(C(F)(F)F)[nH]1.
What is the InChIKey of 2-ethyl-5-(trifluoromethyl)-1H-imidazole?
The InChIKey is ZHSZKIHCLQCPNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N2/c1-2-5-10-3-4(11-5)6(7,8)9/h3H,2H2,1H3,(H,10,11).
What are the key properties of 2-ethyl-5-(trifluoromethyl)-1H-imidazole?
2-ethyl-5-(trifluoromethyl)-1H-imidazole has a molecular weight of 164.13 g/mol, XLogP of 1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-(trifluoromethyl)-1H-imidazole is sourced from PubChem (CID 11367186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).