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

C5H6F3N3 — CID 155374182

IUPAC5-methyl-2-(trifluoromethyl)imidazol-1-amine
SMILESCc1cnc(C(F)(F)F)n1N
InChIInChI=1S/C5H6F3N3/c1-3-2-10-4(11(3)9)5(6,7)8/h2H,9H2,1H3
InChIKeyDWMYGCQOIBQLIU-UHFFFAOYSA-N
MW165.12 g/mol
LogP0.92
Rot. Bonds

About 5-methyl-2-(trifluoromethyl)imidazol-1-amine

5-methyl-2-(trifluoromethyl)imidazol-1-amine (PubChem CID 155374182) has the molecular formula C5H6F3N3 and a molecular weight of 165.12 g/mol. Its IUPAC name is 5-methyl-2-(trifluoromethyl)imidazol-1-amine.

Molecular Properties

Compound Name5-methyl-2-(trifluoromethyl)imidazol-1-amine
PubChem CID155374182
Molecular FormulaC5H6F3N3
Molecular Weight165.12 g/mol
Exact Mass165.05
IUPAC Name5-methyl-2-(trifluoromethyl)imidazol-1-amine
SMILESCc1cnc(C(F)(F)F)n1N
InChIInChI=1S/C5H6F3N3/c1-3-2-10-4(11(3)9)5(6,7)8/h2H,9H2,1H3
InChIKeyDWMYGCQOIBQLIU-UHFFFAOYSA-N
XLogP0.92
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 ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Methyl-5-(trifluoromethyl)-1H-imidazole
CID 591635
5-Methyl-2-(trifluoromethyl)-1H-imidazole
CID 591585
1-methyl-4-(trifluoromethyl)-1H-imidazol-2-amine
CID 138991202
1,2-Dimethyl-4-(trifluoromethyl)-1h-imidazole
CID 12747526
1H-Imidazole, 1-(difluoromethyl)-4-methyl-
CID 119094149
1H-Imidazole, 1-(difluoromethyl)-5-methyl-
CID 119094150
N-amino-4-trifluoromethylimidazole
CID 129862271
2-Tert-butyl-1-methyl-4-(trifluoromethyl)imidazole
CID 15500426
methyl({[1-methyl-5-(trifluoromethyl)-1H-imidazol-2-yl]methyl})amine dihydrochloride
CID 137966030
N-bromodifluoromethyl-2-methylimidazole
CID 129862249
2,5-Dimethyl-1H-imidazole-1-carbonitrile
CID 13065042
1,2,4-Trimethyl-1H-imidazole
CID 14717865

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(trifluoromethyl)imidazol-1-amine?
The IUPAC name of 5-methyl-2-(trifluoromethyl)imidazol-1-amine (CID 155374182) is 5-methyl-2-(trifluoromethyl)imidazol-1-amine.
What is the SMILES notation for 5-methyl-2-(trifluoromethyl)imidazol-1-amine?
The canonical SMILES for 5-methyl-2-(trifluoromethyl)imidazol-1-amine is Cc1cnc(C(F)(F)F)n1N.
What is the InChIKey of 5-methyl-2-(trifluoromethyl)imidazol-1-amine?
The InChIKey is DWMYGCQOIBQLIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F3N3/c1-3-2-10-4(11(3)9)5(6,7)8/h2H,9H2,1H3.
What are the key properties of 5-methyl-2-(trifluoromethyl)imidazol-1-amine?
5-methyl-2-(trifluoromethyl)imidazol-1-amine has a molecular weight of 165.12 g/mol, XLogP of 0.92, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(trifluoromethyl)imidazol-1-amine is sourced from PubChem (CID 155374182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).