1-(1-methoxypropan-2-yl)-4-methyl-N-(2,2,2-trifluoroethyl)imidazol-2-amine

C10H16F3N3O — CID 106558023

IUPAC1-(1-methoxypropan-2-yl)-4-methyl-N-(2,2,2-trifluoroethyl)imidazol-2-amine
SMILESCOCC(C)n1cc(C)nc1NCC(F)(F)F
InChIInChI=1S/C10H16F3N3O/c1-7-4-16(8(2)5-17-3)9(15-7)14-6-10(11,12)13/h4,8H,5-6H2,1-3H3,(H,14,15)
InChIKeyGEMWUPVXIVIHAE-UHFFFAOYSA-N
MW251.25 g/mol
LogP2.37
Rot. Bonds5

About 1-(1-methoxypropan-2-yl)-4-methyl-N-(2,2,2-trifluoroethyl)imidazol-2-amine

1-(1-methoxypropan-2-yl)-4-methyl-N-(2,2,2-trifluoroethyl)imidazol-2-amine (PubChem CID 106558023) has the molecular formula C10H16F3N3O and a molecular weight of 251.25 g/mol. Its IUPAC name is 1-(1-methoxypropan-2-yl)-4-methyl-N-(2,2,2-trifluoroethyl)imidazol-2-amine.

Molecular Properties

Compound Name1-(1-methoxypropan-2-yl)-4-methyl-N-(2,2,2-trifluoroethyl)imidazol-2-amine
PubChem CID106558023
Molecular FormulaC10H16F3N3O
Molecular Weight251.25 g/mol
Exact Mass251.12
IUPAC Name1-(1-methoxypropan-2-yl)-4-methyl-N-(2,2,2-trifluoroethyl)imidazol-2-amine
SMILESCOCC(C)n1cc(C)nc1NCC(F)(F)F
InChIInChI=1S/C10H16F3N3O/c1-7-4-16(8(2)5-17-3)9(15-7)14-6-10(11,12)13/h4,8H,5-6H2,1-3H3,(H,14,15)
InChIKeyGEMWUPVXIVIHAE-UHFFFAOYSA-N
XLogP2.37
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(1-methoxypropan-2-yl)-4-methyl-N-(2,2,2-trifluoroethyl)imidazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxypropan-2-yl)-4-methyl-N-(2,2,2-trifluoroethyl)imidazol-2-amine?
The IUPAC name of 1-(1-methoxypropan-2-yl)-4-methyl-N-(2,2,2-trifluoroethyl)imidazol-2-amine (CID 106558023) is 1-(1-methoxypropan-2-yl)-4-methyl-N-(2,2,2-trifluoroethyl)imidazol-2-amine.
What is the SMILES notation for 1-(1-methoxypropan-2-yl)-4-methyl-N-(2,2,2-trifluoroethyl)imidazol-2-amine?
The canonical SMILES for 1-(1-methoxypropan-2-yl)-4-methyl-N-(2,2,2-trifluoroethyl)imidazol-2-amine is COCC(C)n1cc(C)nc1NCC(F)(F)F.
What is the InChIKey of 1-(1-methoxypropan-2-yl)-4-methyl-N-(2,2,2-trifluoroethyl)imidazol-2-amine?
The InChIKey is GEMWUPVXIVIHAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3O/c1-7-4-16(8(2)5-17-3)9(15-7)14-6-10(11,12)13/h4,8H,5-6H2,1-3H3,(H,14,15).
What are the key properties of 1-(1-methoxypropan-2-yl)-4-methyl-N-(2,2,2-trifluoroethyl)imidazol-2-amine?
1-(1-methoxypropan-2-yl)-4-methyl-N-(2,2,2-trifluoroethyl)imidazol-2-amine has a molecular weight of 251.25 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxypropan-2-yl)-4-methyl-N-(2,2,2-trifluoroethyl)imidazol-2-amine is sourced from PubChem (CID 106558023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).