5-cyclobutyl-2-(trifluoromethyl)-1H-imidazole

C8H9F3N2 — CID 116883636

IUPAC5-cyclobutyl-2-(trifluoromethyl)-1H-imidazole
SMILESFC(F)(F)c1ncc(C2CCC2)[nH]1
InChIInChI=1S/C8H9F3N2/c9-8(10,11)7-12-4-6(13-7)5-2-1-3-5/h4-5H,1-3H2,(H,12,13)
InChIKeyZPUIJZPTPHQVON-UHFFFAOYSA-N
MW190.17 g/mol
LogP2.70
Rot. Bonds1

About 5-cyclobutyl-2-(trifluoromethyl)-1H-imidazole

5-cyclobutyl-2-(trifluoromethyl)-1H-imidazole (PubChem CID 116883636) has the molecular formula C8H9F3N2 and a molecular weight of 190.17 g/mol. Its IUPAC name is 5-cyclobutyl-2-(trifluoromethyl)-1H-imidazole.

Molecular Properties

Compound Name5-cyclobutyl-2-(trifluoromethyl)-1H-imidazole
PubChem CID116883636
Molecular FormulaC8H9F3N2
Molecular Weight190.17 g/mol
Exact Mass190.07
IUPAC Name5-cyclobutyl-2-(trifluoromethyl)-1H-imidazole
SMILESFC(F)(F)c1ncc(C2CCC2)[nH]1
InChIInChI=1S/C8H9F3N2/c9-8(10,11)7-12-4-6(13-7)5-2-1-3-5/h4-5H,1-3H2,(H,12,13)
InChIKeyZPUIJZPTPHQVON-UHFFFAOYSA-N
XLogP2.70
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.17
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

methyl 2-(5-cyclobutyl-1H-imidazol-2-yl)-2-methylpropanoate
CID 116880499
2-(5-cyclopentyl-1H-imidazol-2-yl)-2-methylpropan-1-amine
CID 116876814
1-[2-(5-cyclobutyl-1H-imidazol-2-yl)-2-methylpropyl]piperazine
CID 116883329
2-(trifluoromethyl)-1H-imidazol-5-amine
CID 82373937
2-cyclopentyl-5-(trifluoromethyl)-1H-imidazole
CID 71204532
5-cyclobutyl-4-(trifluoromethyl)-1H-pyrazole
CID 125456183
3-[5-(trifluoromethyl)-1H-imidazol-2-yl]cyclohexan-1-amine
CID 63046647
4-(5-cyclobutyl-1H-imidazol-2-yl)-N-methylcyclohexan-1-amine
CID 116877919
5-cyclohexyl-2-methoxy-1H-imidazole
CID 116883780
2-(5-cyclobutyl-1H-imidazol-2-yl)morpholine
CID 105460682
1-(5-cyclopentyl-1H-imidazol-2-yl)-2-methylpropan-2-amine
CID 116876890
[1-(5-cyclobutyl-1H-imidazol-2-yl)cyclopropyl]methanol
CID 116882068

Frequently Asked Questions

What is the IUPAC name of 5-cyclobutyl-2-(trifluoromethyl)-1H-imidazole?
The IUPAC name of 5-cyclobutyl-2-(trifluoromethyl)-1H-imidazole (CID 116883636) is 5-cyclobutyl-2-(trifluoromethyl)-1H-imidazole.
What is the SMILES notation for 5-cyclobutyl-2-(trifluoromethyl)-1H-imidazole?
The canonical SMILES for 5-cyclobutyl-2-(trifluoromethyl)-1H-imidazole is FC(F)(F)c1ncc(C2CCC2)[nH]1.
What is the InChIKey of 5-cyclobutyl-2-(trifluoromethyl)-1H-imidazole?
The InChIKey is ZPUIJZPTPHQVON-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2/c9-8(10,11)7-12-4-6(13-7)5-2-1-3-5/h4-5H,1-3H2,(H,12,13).
What are the key properties of 5-cyclobutyl-2-(trifluoromethyl)-1H-imidazole?
5-cyclobutyl-2-(trifluoromethyl)-1H-imidazole has a molecular weight of 190.17 g/mol, XLogP of 2.70, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclobutyl-2-(trifluoromethyl)-1H-imidazole is sourced from PubChem (CID 116883636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).