1-methyl-N-(3,3,3-trifluoro-2-morpholin-4-ylpropyl)-4,5-dihydroimidazol-2-amine

C11H19F3N4O — CID 120973861

IUPAC1-methyl-N-(3,3,3-trifluoro-2-morpholin-4-ylpropyl)-4,5-dihydroimidazol-2-amine
SMILESCN1CCN=C1NCC(N1CCOCC1)C(F)(F)F
InChIInChI=1S/C11H19F3N4O/c1-17-3-2-15-10(17)16-8-9(11(12,13)14)18-4-6-19-7-5-18/h9H,2-8H2,1H3,(H,15,16)
InChIKeyFUWLRUYTHLGCBF-UHFFFAOYSA-N
MW280.29 g/mol
LogP0.14
Rot. Bonds3

About 1-methyl-N-(3,3,3-trifluoro-2-morpholin-4-ylpropyl)-4,5-dihydroimidazol-2-amine

1-methyl-N-(3,3,3-trifluoro-2-morpholin-4-ylpropyl)-4,5-dihydroimidazol-2-amine (PubChem CID 120973861) has the molecular formula C11H19F3N4O and a molecular weight of 280.29 g/mol. Its IUPAC name is 1-methyl-N-(3,3,3-trifluoro-2-morpholin-4-ylpropyl)-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name1-methyl-N-(3,3,3-trifluoro-2-morpholin-4-ylpropyl)-4,5-dihydroimidazol-2-amine
PubChem CID120973861
Molecular FormulaC11H19F3N4O
Molecular Weight280.29 g/mol
Exact Mass280.15
IUPAC Name1-methyl-N-(3,3,3-trifluoro-2-morpholin-4-ylpropyl)-4,5-dihydroimidazol-2-amine
SMILESCN1CCN=C1NCC(N1CCOCC1)C(F)(F)F
InChIInChI=1S/C11H19F3N4O/c1-17-3-2-15-10(17)16-8-9(11(12,13)14)18-4-6-19-7-5-18/h9H,2-8H2,1H3,(H,15,16)
InChIKeyFUWLRUYTHLGCBF-UHFFFAOYSA-N
XLogP0.14
TPSA40.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(3,3,3-trifluoro-2-morpholin-4-ylpropyl)-4,5-dihydroimidazol-2-amine?
The IUPAC name of 1-methyl-N-(3,3,3-trifluoro-2-morpholin-4-ylpropyl)-4,5-dihydroimidazol-2-amine (CID 120973861) is 1-methyl-N-(3,3,3-trifluoro-2-morpholin-4-ylpropyl)-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 1-methyl-N-(3,3,3-trifluoro-2-morpholin-4-ylpropyl)-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 1-methyl-N-(3,3,3-trifluoro-2-morpholin-4-ylpropyl)-4,5-dihydroimidazol-2-amine is CN1CCN=C1NCC(N1CCOCC1)C(F)(F)F.
What is the InChIKey of 1-methyl-N-(3,3,3-trifluoro-2-morpholin-4-ylpropyl)-4,5-dihydroimidazol-2-amine?
The InChIKey is FUWLRUYTHLGCBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N4O/c1-17-3-2-15-10(17)16-8-9(11(12,13)14)18-4-6-19-7-5-18/h9H,2-8H2,1H3,(H,15,16).
What are the key properties of 1-methyl-N-(3,3,3-trifluoro-2-morpholin-4-ylpropyl)-4,5-dihydroimidazol-2-amine?
1-methyl-N-(3,3,3-trifluoro-2-morpholin-4-ylpropyl)-4,5-dihydroimidazol-2-amine has a molecular weight of 280.29 g/mol, XLogP of 0.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(3,3,3-trifluoro-2-morpholin-4-ylpropyl)-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 120973861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).