2,5-dimethyl-4-(trifluoromethyl)-1H-imidazole

C6H7F3N2 — CID 596410

IUPAC2,5-dimethyl-4-(trifluoromethyl)-1H-imidazole
SMILESCc1nc(C(F)(F)F)c(C)[nH]1
InChIInChI=1S/C6H7F3N2/c1-3-5(6(7,8)9)11-4(2)10-3/h1-2H3,(H,10,11)
InChIKeyRUJHYRWEXMODOV-UHFFFAOYSA-N
MW164.13 g/mol
LogP2.05
Rot. Bonds

About 2,5-dimethyl-4-(trifluoromethyl)-1H-imidazole

2,5-dimethyl-4-(trifluoromethyl)-1H-imidazole (PubChem CID 596410) has the molecular formula C6H7F3N2 and a molecular weight of 164.13 g/mol. Its IUPAC name is 2,5-dimethyl-4-(trifluoromethyl)-1H-imidazole.

Molecular Properties

Compound Name2,5-dimethyl-4-(trifluoromethyl)-1H-imidazole
PubChem CID596410
Molecular FormulaC6H7F3N2
Molecular Weight164.13 g/mol
Exact Mass164.06
IUPAC Name2,5-dimethyl-4-(trifluoromethyl)-1H-imidazole
SMILESCc1nc(C(F)(F)F)c(C)[nH]1
InChIInChI=1S/C6H7F3N2/c1-3-5(6(7,8)9)11-4(2)10-3/h1-2H3,(H,10,11)
InChIKeyRUJHYRWEXMODOV-UHFFFAOYSA-N
XLogP2.05
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.13
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-(trifluoromethyl)-1H-imidazole?
The IUPAC name of 2,5-dimethyl-4-(trifluoromethyl)-1H-imidazole (CID 596410) is 2,5-dimethyl-4-(trifluoromethyl)-1H-imidazole.
What is the SMILES notation for 2,5-dimethyl-4-(trifluoromethyl)-1H-imidazole?
The canonical SMILES for 2,5-dimethyl-4-(trifluoromethyl)-1H-imidazole is Cc1nc(C(F)(F)F)c(C)[nH]1.
What is the InChIKey of 2,5-dimethyl-4-(trifluoromethyl)-1H-imidazole?
The InChIKey is RUJHYRWEXMODOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N2/c1-3-5(6(7,8)9)11-4(2)10-3/h1-2H3,(H,10,11).
What are the key properties of 2,5-dimethyl-4-(trifluoromethyl)-1H-imidazole?
2,5-dimethyl-4-(trifluoromethyl)-1H-imidazole has a molecular weight of 164.13 g/mol, XLogP of 2.05, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-(trifluoromethyl)-1H-imidazole is sourced from PubChem (CID 596410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).