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

C7H7F3N2 — CID 89351028

IUPAC2-cyclopropyl-5-(trifluoromethyl)-1H-imidazole
SMILESFC(F)(F)c1cnc(C2CC2)[nH]1
InChIInChI=1S/C7H7F3N2/c8-7(9,10)5-3-11-6(12-5)4-1-2-4/h3-4H,1-2H2,(H,11,12)
InChIKeyQHDSJXHOEFLQLG-UHFFFAOYSA-N
MW176.14 g/mol
LogP2.31
Rot. Bonds1

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

2-cyclopropyl-5-(trifluoromethyl)-1H-imidazole (PubChem CID 89351028) has the molecular formula C7H7F3N2 and a molecular weight of 176.14 g/mol. Its IUPAC name is 2-cyclopropyl-5-(trifluoromethyl)-1H-imidazole.

Molecular Properties

Compound Name2-cyclopropyl-5-(trifluoromethyl)-1H-imidazole
PubChem CID89351028
Molecular FormulaC7H7F3N2
Molecular Weight176.14 g/mol
Exact Mass176.06
IUPAC Name2-cyclopropyl-5-(trifluoromethyl)-1H-imidazole
SMILESFC(F)(F)c1cnc(C2CC2)[nH]1
InChIInChI=1S/C7H7F3N2/c8-7(9,10)5-3-11-6(12-5)4-1-2-4/h3-4H,1-2H2,(H,11,12)
InChIKeyQHDSJXHOEFLQLG-UHFFFAOYSA-N
XLogP2.31
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.14
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-(trifluoromethyl)-1H-imidazole?
The IUPAC name of 2-cyclopropyl-5-(trifluoromethyl)-1H-imidazole (CID 89351028) is 2-cyclopropyl-5-(trifluoromethyl)-1H-imidazole.
What is the SMILES notation for 2-cyclopropyl-5-(trifluoromethyl)-1H-imidazole?
The canonical SMILES for 2-cyclopropyl-5-(trifluoromethyl)-1H-imidazole is FC(F)(F)c1cnc(C2CC2)[nH]1.
What is the InChIKey of 2-cyclopropyl-5-(trifluoromethyl)-1H-imidazole?
The InChIKey is QHDSJXHOEFLQLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2/c8-7(9,10)5-3-11-6(12-5)4-1-2-4/h3-4H,1-2H2,(H,11,12).
What are the key properties of 2-cyclopropyl-5-(trifluoromethyl)-1H-imidazole?
2-cyclopropyl-5-(trifluoromethyl)-1H-imidazole has a molecular weight of 176.14 g/mol, XLogP of 2.31, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-(trifluoromethyl)-1H-imidazole is sourced from PubChem (CID 89351028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).