4-methyl-2,5-bis(trifluoromethyl)imidazol-1-amine

C6H5F6N3 — CID 137392956

IUPAC4-methyl-2,5-bis(trifluoromethyl)imidazol-1-amine
SMILESCc1nc(C(F)(F)F)n(N)c1C(F)(F)F
InChIInChI=1S/C6H5F6N3/c1-2-3(5(7,8)9)15(13)4(14-2)6(10,11)12/h13H2,1H3
InChIKeyCYOGZTJDYBGISQ-UHFFFAOYSA-N
MW233.11 g/mol
LogP1.94
Rot. Bonds

About 4-methyl-2,5-bis(trifluoromethyl)imidazol-1-amine

4-methyl-2,5-bis(trifluoromethyl)imidazol-1-amine (PubChem CID 137392956) has the molecular formula C6H5F6N3 and a molecular weight of 233.11 g/mol. Its IUPAC name is 4-methyl-2,5-bis(trifluoromethyl)imidazol-1-amine.

Molecular Properties

Compound Name4-methyl-2,5-bis(trifluoromethyl)imidazol-1-amine
PubChem CID137392956
Molecular FormulaC6H5F6N3
Molecular Weight233.11 g/mol
Exact Mass233.04
IUPAC Name4-methyl-2,5-bis(trifluoromethyl)imidazol-1-amine
SMILESCc1nc(C(F)(F)F)n(N)c1C(F)(F)F
InChIInChI=1S/C6H5F6N3/c1-2-3(5(7,8)9)15(13)4(14-2)6(10,11)12/h13H2,1H3
InChIKeyCYOGZTJDYBGISQ-UHFFFAOYSA-N
XLogP1.94
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.11
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2,5-bis(trifluoromethyl)imidazol-1-amine?
The IUPAC name of 4-methyl-2,5-bis(trifluoromethyl)imidazol-1-amine (CID 137392956) is 4-methyl-2,5-bis(trifluoromethyl)imidazol-1-amine.
What is the SMILES notation for 4-methyl-2,5-bis(trifluoromethyl)imidazol-1-amine?
The canonical SMILES for 4-methyl-2,5-bis(trifluoromethyl)imidazol-1-amine is Cc1nc(C(F)(F)F)n(N)c1C(F)(F)F.
What is the InChIKey of 4-methyl-2,5-bis(trifluoromethyl)imidazol-1-amine?
The InChIKey is CYOGZTJDYBGISQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F6N3/c1-2-3(5(7,8)9)15(13)4(14-2)6(10,11)12/h13H2,1H3.
What are the key properties of 4-methyl-2,5-bis(trifluoromethyl)imidazol-1-amine?
4-methyl-2,5-bis(trifluoromethyl)imidazol-1-amine has a molecular weight of 233.11 g/mol, XLogP of 1.94, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2,5-bis(trifluoromethyl)imidazol-1-amine is sourced from PubChem (CID 137392956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).