1-methyl-3-(trifluoromethyl)-2H-imidazole

C5H7F3N2 — CID 23140770

IUPAC1-methyl-3-(trifluoromethyl)-2H-imidazole
SMILESCN1C=CN(C(F)(F)F)C1
InChIInChI=1S/C5H7F3N2/c1-9-2-3-10(4-9)5(6,7)8/h2-3H,4H2,1H3
InChIKeyLAIDRUKJNHAZEK-UHFFFAOYSA-N
MW152.12 g/mol
LogP1.18
Rot. Bonds

About 1-methyl-3-(trifluoromethyl)-2H-imidazole

1-methyl-3-(trifluoromethyl)-2H-imidazole (PubChem CID 23140770) has the molecular formula C5H7F3N2 and a molecular weight of 152.12 g/mol. Its IUPAC name is 1-methyl-3-(trifluoromethyl)-2H-imidazole.

Molecular Properties

Compound Name1-methyl-3-(trifluoromethyl)-2H-imidazole
PubChem CID23140770
Molecular FormulaC5H7F3N2
Molecular Weight152.12 g/mol
Exact Mass152.06
IUPAC Name1-methyl-3-(trifluoromethyl)-2H-imidazole
SMILESCN1C=CN(C(F)(F)F)C1
InChIInChI=1S/C5H7F3N2/c1-9-2-3-10(4-9)5(6,7)8/h2-3H,4H2,1H3
InChIKeyLAIDRUKJNHAZEK-UHFFFAOYSA-N
XLogP1.18
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.12
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(trifluoromethyl)-2H-imidazole?
The IUPAC name of 1-methyl-3-(trifluoromethyl)-2H-imidazole (CID 23140770) is 1-methyl-3-(trifluoromethyl)-2H-imidazole.
What is the SMILES notation for 1-methyl-3-(trifluoromethyl)-2H-imidazole?
The canonical SMILES for 1-methyl-3-(trifluoromethyl)-2H-imidazole is CN1C=CN(C(F)(F)F)C1.
What is the InChIKey of 1-methyl-3-(trifluoromethyl)-2H-imidazole?
The InChIKey is LAIDRUKJNHAZEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F3N2/c1-9-2-3-10(4-9)5(6,7)8/h2-3H,4H2,1H3.
What are the key properties of 1-methyl-3-(trifluoromethyl)-2H-imidazole?
1-methyl-3-(trifluoromethyl)-2H-imidazole has a molecular weight of 152.12 g/mol, XLogP of 1.18, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(trifluoromethyl)-2H-imidazole is sourced from PubChem (CID 23140770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).