1,2-diethyl-5-methyl-4-(trifluoromethyl)imidazole

C9H13F3N2 — CID 145385909

IUPAC1,2-diethyl-5-methyl-4-(trifluoromethyl)imidazole
SMILESCCc1nc(C(F)(F)F)c(C)n1CC
InChIInChI=1S/C9H13F3N2/c1-4-7-13-8(9(10,11)12)6(3)14(7)5-2/h4-5H2,1-3H3
InChIKeyJROGMGIKUZRXGM-UHFFFAOYSA-N
MW206.21 g/mol
LogP2.79
Rot. Bonds2

About 1,2-diethyl-5-methyl-4-(trifluoromethyl)imidazole

1,2-diethyl-5-methyl-4-(trifluoromethyl)imidazole (PubChem CID 145385909) has the molecular formula C9H13F3N2 and a molecular weight of 206.21 g/mol. Its IUPAC name is 1,2-diethyl-5-methyl-4-(trifluoromethyl)imidazole.

Molecular Properties

Compound Name1,2-diethyl-5-methyl-4-(trifluoromethyl)imidazole
PubChem CID145385909
Molecular FormulaC9H13F3N2
Molecular Weight206.21 g/mol
Exact Mass206.10
IUPAC Name1,2-diethyl-5-methyl-4-(trifluoromethyl)imidazole
SMILESCCc1nc(C(F)(F)F)c(C)n1CC
InChIInChI=1S/C9H13F3N2/c1-4-7-13-8(9(10,11)12)6(3)14(7)5-2/h4-5H2,1-3H3
InChIKeyJROGMGIKUZRXGM-UHFFFAOYSA-N
XLogP2.79
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.21
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2-diethyl-5-methyl-4-(trifluoromethyl)imidazole?
The IUPAC name of 1,2-diethyl-5-methyl-4-(trifluoromethyl)imidazole (CID 145385909) is 1,2-diethyl-5-methyl-4-(trifluoromethyl)imidazole.
What is the SMILES notation for 1,2-diethyl-5-methyl-4-(trifluoromethyl)imidazole?
The canonical SMILES for 1,2-diethyl-5-methyl-4-(trifluoromethyl)imidazole is CCc1nc(C(F)(F)F)c(C)n1CC.
What is the InChIKey of 1,2-diethyl-5-methyl-4-(trifluoromethyl)imidazole?
The InChIKey is JROGMGIKUZRXGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2/c1-4-7-13-8(9(10,11)12)6(3)14(7)5-2/h4-5H2,1-3H3.
What are the key properties of 1,2-diethyl-5-methyl-4-(trifluoromethyl)imidazole?
1,2-diethyl-5-methyl-4-(trifluoromethyl)imidazole has a molecular weight of 206.21 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diethyl-5-methyl-4-(trifluoromethyl)imidazole is sourced from PubChem (CID 145385909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).