1-ethyl-5-methyl-4-propan-2-yl-2-(trifluoromethyl)imidazole

C10H15F3N2 — CID 167244999

IUPAC1-ethyl-5-methyl-4-propan-2-yl-2-(trifluoromethyl)imidazole
SMILESCCn1c(C(F)(F)F)nc(C(C)C)c1C
InChIInChI=1S/C10H15F3N2/c1-5-15-7(4)8(6(2)3)14-9(15)10(11,12)13/h6H,5H2,1-4H3
InChIKeyYKYIPNVPXIODJK-UHFFFAOYSA-N
MW220.24 g/mol
LogP3.35
Rot. Bonds2

About 1-ethyl-5-methyl-4-propan-2-yl-2-(trifluoromethyl)imidazole

1-ethyl-5-methyl-4-propan-2-yl-2-(trifluoromethyl)imidazole (PubChem CID 167244999) has the molecular formula C10H15F3N2 and a molecular weight of 220.24 g/mol. Its IUPAC name is 1-ethyl-5-methyl-4-propan-2-yl-2-(trifluoromethyl)imidazole.

Molecular Properties

Compound Name1-ethyl-5-methyl-4-propan-2-yl-2-(trifluoromethyl)imidazole
PubChem CID167244999
Molecular FormulaC10H15F3N2
Molecular Weight220.24 g/mol
Exact Mass220.12
IUPAC Name1-ethyl-5-methyl-4-propan-2-yl-2-(trifluoromethyl)imidazole
SMILESCCn1c(C(F)(F)F)nc(C(C)C)c1C
InChIInChI=1S/C10H15F3N2/c1-5-15-7(4)8(6(2)3)14-9(15)10(11,12)13/h6H,5H2,1-4H3
InChIKeyYKYIPNVPXIODJK-UHFFFAOYSA-N
XLogP3.35
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.24
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-methyl-4-propan-2-yl-2-(trifluoromethyl)imidazole?
The IUPAC name of 1-ethyl-5-methyl-4-propan-2-yl-2-(trifluoromethyl)imidazole (CID 167244999) is 1-ethyl-5-methyl-4-propan-2-yl-2-(trifluoromethyl)imidazole.
What is the SMILES notation for 1-ethyl-5-methyl-4-propan-2-yl-2-(trifluoromethyl)imidazole?
The canonical SMILES for 1-ethyl-5-methyl-4-propan-2-yl-2-(trifluoromethyl)imidazole is CCn1c(C(F)(F)F)nc(C(C)C)c1C.
What is the InChIKey of 1-ethyl-5-methyl-4-propan-2-yl-2-(trifluoromethyl)imidazole?
The InChIKey is YKYIPNVPXIODJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2/c1-5-15-7(4)8(6(2)3)14-9(15)10(11,12)13/h6H,5H2,1-4H3.
What are the key properties of 1-ethyl-5-methyl-4-propan-2-yl-2-(trifluoromethyl)imidazole?
1-ethyl-5-methyl-4-propan-2-yl-2-(trifluoromethyl)imidazole has a molecular weight of 220.24 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-methyl-4-propan-2-yl-2-(trifluoromethyl)imidazole is sourced from PubChem (CID 167244999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).