5-propan-2-yl-4-(trifluoromethyl)-1H-imidazole

C7H9F3N2 — CID 59148160

IUPAC5-propan-2-yl-4-(trifluoromethyl)-1H-imidazole
SMILESCC(C)c1[nH]cnc1C(F)(F)F
InChIInChI=1S/C7H9F3N2/c1-4(2)5-6(7(8,9)10)12-3-11-5/h3-4H,1-2H3,(H,11,12)
InChIKeyHGIPWRJFWDLQAY-UHFFFAOYSA-N
MW178.16 g/mol
LogP2.55
Rot. Bonds1

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

5-propan-2-yl-4-(trifluoromethyl)-1H-imidazole (PubChem CID 59148160) has the molecular formula C7H9F3N2 and a molecular weight of 178.16 g/mol. Its IUPAC name is 5-propan-2-yl-4-(trifluoromethyl)-1H-imidazole.

Molecular Properties

Compound Name5-propan-2-yl-4-(trifluoromethyl)-1H-imidazole
PubChem CID59148160
Molecular FormulaC7H9F3N2
Molecular Weight178.16 g/mol
Exact Mass178.07
IUPAC Name5-propan-2-yl-4-(trifluoromethyl)-1H-imidazole
SMILESCC(C)c1[nH]cnc1C(F)(F)F
InChIInChI=1S/C7H9F3N2/c1-4(2)5-6(7(8,9)10)12-3-11-5/h3-4H,1-2H3,(H,11,12)
InChIKeyHGIPWRJFWDLQAY-UHFFFAOYSA-N
XLogP2.55
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.16
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 5-propan-2-yl-4-(trifluoromethyl)-1H-imidazole 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-propan-2-yl-4-(trifluoromethyl)-1H-imidazole?
The IUPAC name of 5-propan-2-yl-4-(trifluoromethyl)-1H-imidazole (CID 59148160) is 5-propan-2-yl-4-(trifluoromethyl)-1H-imidazole.
What is the SMILES notation for 5-propan-2-yl-4-(trifluoromethyl)-1H-imidazole?
The canonical SMILES for 5-propan-2-yl-4-(trifluoromethyl)-1H-imidazole is CC(C)c1[nH]cnc1C(F)(F)F.
What is the InChIKey of 5-propan-2-yl-4-(trifluoromethyl)-1H-imidazole?
The InChIKey is HGIPWRJFWDLQAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2/c1-4(2)5-6(7(8,9)10)12-3-11-5/h3-4H,1-2H3,(H,11,12).
What are the key properties of 5-propan-2-yl-4-(trifluoromethyl)-1H-imidazole?
5-propan-2-yl-4-(trifluoromethyl)-1H-imidazole has a molecular weight of 178.16 g/mol, XLogP of 2.55, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-4-(trifluoromethyl)-1H-imidazole is sourced from PubChem (CID 59148160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).