5-ethyl-2-(trifluoromethyl)-1H-imidazol-4-amine

C6H8F3N3 — CID 82373999

IUPAC5-ethyl-2-(trifluoromethyl)-1H-imidazol-4-amine
SMILESCCc1[nH]c(C(F)(F)F)nc1N
InChIInChI=1S/C6H8F3N3/c1-2-3-4(10)12-5(11-3)6(7,8)9/h2,10H2,1H3,(H,11,12)
InChIKeyVNJHZHIIDFIGNL-UHFFFAOYSA-N
MW179.14 g/mol
LogP1.57
Rot. Bonds1

About 5-ethyl-2-(trifluoromethyl)-1H-imidazol-4-amine

5-ethyl-2-(trifluoromethyl)-1H-imidazol-4-amine (PubChem CID 82373999) has the molecular formula C6H8F3N3 and a molecular weight of 179.14 g/mol. Its IUPAC name is 5-ethyl-2-(trifluoromethyl)-1H-imidazol-4-amine.

Molecular Properties

Compound Name5-ethyl-2-(trifluoromethyl)-1H-imidazol-4-amine
PubChem CID82373999
Molecular FormulaC6H8F3N3
Molecular Weight179.14 g/mol
Exact Mass179.07
IUPAC Name5-ethyl-2-(trifluoromethyl)-1H-imidazol-4-amine
SMILESCCc1[nH]c(C(F)(F)F)nc1N
InChIInChI=1S/C6H8F3N3/c1-2-3-4(10)12-5(11-3)6(7,8)9/h2,10H2,1H3,(H,11,12)
InChIKeyVNJHZHIIDFIGNL-UHFFFAOYSA-N
XLogP1.57
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.14
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-(trifluoromethyl)-1H-imidazol-4-amine?
The IUPAC name of 5-ethyl-2-(trifluoromethyl)-1H-imidazol-4-amine (CID 82373999) is 5-ethyl-2-(trifluoromethyl)-1H-imidazol-4-amine.
What is the SMILES notation for 5-ethyl-2-(trifluoromethyl)-1H-imidazol-4-amine?
The canonical SMILES for 5-ethyl-2-(trifluoromethyl)-1H-imidazol-4-amine is CCc1[nH]c(C(F)(F)F)nc1N.
What is the InChIKey of 5-ethyl-2-(trifluoromethyl)-1H-imidazol-4-amine?
The InChIKey is VNJHZHIIDFIGNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3N3/c1-2-3-4(10)12-5(11-3)6(7,8)9/h2,10H2,1H3,(H,11,12).
What are the key properties of 5-ethyl-2-(trifluoromethyl)-1H-imidazol-4-amine?
5-ethyl-2-(trifluoromethyl)-1H-imidazol-4-amine has a molecular weight of 179.14 g/mol, XLogP of 1.57, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-(trifluoromethyl)-1H-imidazol-4-amine is sourced from PubChem (CID 82373999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).