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

C9H14F3N3O — CID 106558031

IUPAC1-(2-methoxyethyl)-4-methyl-N-(2,2,2-trifluoroethyl)imidazol-2-amine
SMILESCOCCn1cc(C)nc1NCC(F)(F)F
InChIInChI=1S/C9H14F3N3O/c1-7-5-15(3-4-16-2)8(14-7)13-6-9(10,11)12/h5H,3-4,6H2,1-2H3,(H,13,14)
InChIKeyHVQFZSPLMMTZSB-UHFFFAOYSA-N
MW237.22 g/mol
LogP1.81
Rot. Bonds5

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

1-(2-methoxyethyl)-4-methyl-N-(2,2,2-trifluoroethyl)imidazol-2-amine (PubChem CID 106558031) has the molecular formula C9H14F3N3O and a molecular weight of 237.22 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-4-methyl-N-(2,2,2-trifluoroethyl)imidazol-2-amine.

Molecular Properties

Compound Name1-(2-methoxyethyl)-4-methyl-N-(2,2,2-trifluoroethyl)imidazol-2-amine
PubChem CID106558031
Molecular FormulaC9H14F3N3O
Molecular Weight237.22 g/mol
Exact Mass237.11
IUPAC Name1-(2-methoxyethyl)-4-methyl-N-(2,2,2-trifluoroethyl)imidazol-2-amine
SMILESCOCCn1cc(C)nc1NCC(F)(F)F
InChIInChI=1S/C9H14F3N3O/c1-7-5-15(3-4-16-2)8(14-7)13-6-9(10,11)12/h5H,3-4,6H2,1-2H3,(H,13,14)
InChIKeyHVQFZSPLMMTZSB-UHFFFAOYSA-N
XLogP1.81
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-4-methyl-N-(2,2,2-trifluoroethyl)imidazol-2-amine?
The IUPAC name of 1-(2-methoxyethyl)-4-methyl-N-(2,2,2-trifluoroethyl)imidazol-2-amine (CID 106558031) is 1-(2-methoxyethyl)-4-methyl-N-(2,2,2-trifluoroethyl)imidazol-2-amine.
What is the SMILES notation for 1-(2-methoxyethyl)-4-methyl-N-(2,2,2-trifluoroethyl)imidazol-2-amine?
The canonical SMILES for 1-(2-methoxyethyl)-4-methyl-N-(2,2,2-trifluoroethyl)imidazol-2-amine is COCCn1cc(C)nc1NCC(F)(F)F.
What is the InChIKey of 1-(2-methoxyethyl)-4-methyl-N-(2,2,2-trifluoroethyl)imidazol-2-amine?
The InChIKey is HVQFZSPLMMTZSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N3O/c1-7-5-15(3-4-16-2)8(14-7)13-6-9(10,11)12/h5H,3-4,6H2,1-2H3,(H,13,14).
What are the key properties of 1-(2-methoxyethyl)-4-methyl-N-(2,2,2-trifluoroethyl)imidazol-2-amine?
1-(2-methoxyethyl)-4-methyl-N-(2,2,2-trifluoroethyl)imidazol-2-amine has a molecular weight of 237.22 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-4-methyl-N-(2,2,2-trifluoroethyl)imidazol-2-amine is sourced from PubChem (CID 106558031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).