1-methyl-2-(trifluoromethyl)imidazol-4-amine

C5H6F3N3 — CID 82377974

IUPAC1-methyl-2-(trifluoromethyl)imidazol-4-amine
SMILESCn1cc(N)nc1C(F)(F)F
InChIInChI=1S/C5H6F3N3/c1-11-2-3(9)10-4(11)5(6,7)8/h2H,9H2,1H3
InChIKeyLCVAIRDFCYOAJK-UHFFFAOYSA-N
MW165.12 g/mol
LogP1.02
Rot. Bonds

About 1-methyl-2-(trifluoromethyl)imidazol-4-amine

1-methyl-2-(trifluoromethyl)imidazol-4-amine (PubChem CID 82377974) has the molecular formula C5H6F3N3 and a molecular weight of 165.12 g/mol. Its IUPAC name is 1-methyl-2-(trifluoromethyl)imidazol-4-amine.

Molecular Properties

Compound Name1-methyl-2-(trifluoromethyl)imidazol-4-amine
PubChem CID82377974
Molecular FormulaC5H6F3N3
Molecular Weight165.12 g/mol
Exact Mass165.05
IUPAC Name1-methyl-2-(trifluoromethyl)imidazol-4-amine
SMILESCn1cc(N)nc1C(F)(F)F
InChIInChI=1S/C5H6F3N3/c1-11-2-3(9)10-4(11)5(6,7)8/h2H,9H2,1H3
InChIKeyLCVAIRDFCYOAJK-UHFFFAOYSA-N
XLogP1.02
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.12
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(trifluoromethyl)imidazol-4-amine?
The IUPAC name of 1-methyl-2-(trifluoromethyl)imidazol-4-amine (CID 82377974) is 1-methyl-2-(trifluoromethyl)imidazol-4-amine.
What is the SMILES notation for 1-methyl-2-(trifluoromethyl)imidazol-4-amine?
The canonical SMILES for 1-methyl-2-(trifluoromethyl)imidazol-4-amine is Cn1cc(N)nc1C(F)(F)F.
What is the InChIKey of 1-methyl-2-(trifluoromethyl)imidazol-4-amine?
The InChIKey is LCVAIRDFCYOAJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F3N3/c1-11-2-3(9)10-4(11)5(6,7)8/h2H,9H2,1H3.
What are the key properties of 1-methyl-2-(trifluoromethyl)imidazol-4-amine?
1-methyl-2-(trifluoromethyl)imidazol-4-amine has a molecular weight of 165.12 g/mol, XLogP of 1.02, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(trifluoromethyl)imidazol-4-amine is sourced from PubChem (CID 82377974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).