5-methyl-1-(2-methylpropyl)-5-[4-(trifluoromethyl)phenyl]-4H-imidazol-2-amine

C15H20F3N3 — CID 79498423

IUPAC5-methyl-1-(2-methylpropyl)-5-[4-(trifluoromethyl)phenyl]-4H-imidazol-2-amine
SMILESCC(C)CN1C(N)=NCC1(C)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H20F3N3/c1-10(2)8-21-13(19)20-9-14(21,3)11-4-6-12(7-5-11)15(16,17)18/h4-7,10H,8-9H2,1-3H3,(H2,19,20)
InChIKeyFOQSDCCFLGTGJO-UHFFFAOYSA-N
MW299.34 g/mol
LogP3.21
Rot. Bonds3

About 5-methyl-1-(2-methylpropyl)-5-[4-(trifluoromethyl)phenyl]-4H-imidazol-2-amine

5-methyl-1-(2-methylpropyl)-5-[4-(trifluoromethyl)phenyl]-4H-imidazol-2-amine (PubChem CID 79498423) has the molecular formula C15H20F3N3 and a molecular weight of 299.34 g/mol. Its IUPAC name is 5-methyl-1-(2-methylpropyl)-5-[4-(trifluoromethyl)phenyl]-4H-imidazol-2-amine.

Molecular Properties

Compound Name5-methyl-1-(2-methylpropyl)-5-[4-(trifluoromethyl)phenyl]-4H-imidazol-2-amine
PubChem CID79498423
Molecular FormulaC15H20F3N3
Molecular Weight299.34 g/mol
Exact Mass299.16
IUPAC Name5-methyl-1-(2-methylpropyl)-5-[4-(trifluoromethyl)phenyl]-4H-imidazol-2-amine
SMILESCC(C)CN1C(N)=NCC1(C)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H20F3N3/c1-10(2)8-21-13(19)20-9-14(21,3)11-4-6-12(7-5-11)15(16,17)18/h4-7,10H,8-9H2,1-3H3,(H2,19,20)
InChIKeyFOQSDCCFLGTGJO-UHFFFAOYSA-N
XLogP3.21
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.34
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(2-methylpropyl)-5-[4-(trifluoromethyl)phenyl]-4H-imidazol-2-amine?
The IUPAC name of 5-methyl-1-(2-methylpropyl)-5-[4-(trifluoromethyl)phenyl]-4H-imidazol-2-amine (CID 79498423) is 5-methyl-1-(2-methylpropyl)-5-[4-(trifluoromethyl)phenyl]-4H-imidazol-2-amine.
What is the SMILES notation for 5-methyl-1-(2-methylpropyl)-5-[4-(trifluoromethyl)phenyl]-4H-imidazol-2-amine?
The canonical SMILES for 5-methyl-1-(2-methylpropyl)-5-[4-(trifluoromethyl)phenyl]-4H-imidazol-2-amine is CC(C)CN1C(N)=NCC1(C)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 5-methyl-1-(2-methylpropyl)-5-[4-(trifluoromethyl)phenyl]-4H-imidazol-2-amine?
The InChIKey is FOQSDCCFLGTGJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N3/c1-10(2)8-21-13(19)20-9-14(21,3)11-4-6-12(7-5-11)15(16,17)18/h4-7,10H,8-9H2,1-3H3,(H2,19,20).
What are the key properties of 5-methyl-1-(2-methylpropyl)-5-[4-(trifluoromethyl)phenyl]-4H-imidazol-2-amine?
5-methyl-1-(2-methylpropyl)-5-[4-(trifluoromethyl)phenyl]-4H-imidazol-2-amine has a molecular weight of 299.34 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(2-methylpropyl)-5-[4-(trifluoromethyl)phenyl]-4H-imidazol-2-amine is sourced from PubChem (CID 79498423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).