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

C6H8F3N3 — CID 105437816

IUPAC5-ethyl-4-(trifluoromethyl)-1H-imidazol-2-amine
SMILESCCc1[nH]c(N)nc1C(F)(F)F
InChIInChI=1S/C6H8F3N3/c1-2-3-4(6(7,8)9)12-5(10)11-3/h2H2,1H3,(H3,10,11,12)
InChIKeyURCWUHBLRFAWQR-UHFFFAOYSA-N
MW179.14 g/mol
LogP1.57
Rot. Bonds1

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

5-ethyl-4-(trifluoromethyl)-1H-imidazol-2-amine (PubChem CID 105437816) has the molecular formula C6H8F3N3 and a molecular weight of 179.14 g/mol. Its IUPAC name is 5-ethyl-4-(trifluoromethyl)-1H-imidazol-2-amine.

Molecular Properties

Compound Name5-ethyl-4-(trifluoromethyl)-1H-imidazol-2-amine
PubChem CID105437816
Molecular FormulaC6H8F3N3
Molecular Weight179.14 g/mol
Exact Mass179.07
IUPAC Name5-ethyl-4-(trifluoromethyl)-1H-imidazol-2-amine
SMILESCCc1[nH]c(N)nc1C(F)(F)F
InChIInChI=1S/C6H8F3N3/c1-2-3-4(6(7,8)9)12-5(10)11-3/h2H2,1H3,(H3,10,11,12)
InChIKeyURCWUHBLRFAWQR-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-(trifluoromethyl)-1H-imidazol-2-amine?
The IUPAC name of 5-ethyl-4-(trifluoromethyl)-1H-imidazol-2-amine (CID 105437816) is 5-ethyl-4-(trifluoromethyl)-1H-imidazol-2-amine.
What is the SMILES notation for 5-ethyl-4-(trifluoromethyl)-1H-imidazol-2-amine?
The canonical SMILES for 5-ethyl-4-(trifluoromethyl)-1H-imidazol-2-amine is CCc1[nH]c(N)nc1C(F)(F)F.
What is the InChIKey of 5-ethyl-4-(trifluoromethyl)-1H-imidazol-2-amine?
The InChIKey is URCWUHBLRFAWQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3N3/c1-2-3-4(6(7,8)9)12-5(10)11-3/h2H2,1H3,(H3,10,11,12).
What are the key properties of 5-ethyl-4-(trifluoromethyl)-1H-imidazol-2-amine?
5-ethyl-4-(trifluoromethyl)-1H-imidazol-2-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-4-(trifluoromethyl)-1H-imidazol-2-amine is sourced from PubChem (CID 105437816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).