(2-morpholin-4-yl-4,5-dihydroimidazol-1-yl)-[2-(trifluoromethyl)phenyl]methanone

C15H16F3N3O2 — CID 53200158

IUPAC(2-morpholin-4-yl-4,5-dihydroimidazol-1-yl)-[2-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccccc1C(F)(F)F)N1CCN=C1N1CCOCC1
InChIInChI=1S/C15H16F3N3O2/c16-15(17,18)12-4-2-1-3-11(12)13(22)21-6-5-19-14(21)20-7-9-23-10-8-20/h1-4H,5-10H2
InChIKeyLHCOKPTZNBRVOO-UHFFFAOYSA-N
MW327.31 g/mol
LogP1.85
Rot. Bonds1

About (2-morpholin-4-yl-4,5-dihydroimidazol-1-yl)-[2-(trifluoromethyl)phenyl]methanone

(2-morpholin-4-yl-4,5-dihydroimidazol-1-yl)-[2-(trifluoromethyl)phenyl]methanone (PubChem CID 53200158) has the molecular formula C15H16F3N3O2 and a molecular weight of 327.31 g/mol. Its IUPAC name is (2-morpholin-4-yl-4,5-dihydroimidazol-1-yl)-[2-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name(2-morpholin-4-yl-4,5-dihydroimidazol-1-yl)-[2-(trifluoromethyl)phenyl]methanone
PubChem CID53200158
Molecular FormulaC15H16F3N3O2
Molecular Weight327.31 g/mol
Exact Mass327.12
IUPAC Name(2-morpholin-4-yl-4,5-dihydroimidazol-1-yl)-[2-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccccc1C(F)(F)F)N1CCN=C1N1CCOCC1
InChIInChI=1S/C15H16F3N3O2/c16-15(17,18)12-4-2-1-3-11(12)13(22)21-6-5-19-14(21)20-7-9-23-10-8-20/h1-4H,5-10H2
InChIKeyLHCOKPTZNBRVOO-UHFFFAOYSA-N
XLogP1.85
TPSA45.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.31
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-morpholin-4-yl-4,5-dihydroimidazol-1-yl)-[2-(trifluoromethyl)phenyl]methanone?
The IUPAC name of (2-morpholin-4-yl-4,5-dihydroimidazol-1-yl)-[2-(trifluoromethyl)phenyl]methanone (CID 53200158) is (2-morpholin-4-yl-4,5-dihydroimidazol-1-yl)-[2-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for (2-morpholin-4-yl-4,5-dihydroimidazol-1-yl)-[2-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for (2-morpholin-4-yl-4,5-dihydroimidazol-1-yl)-[2-(trifluoromethyl)phenyl]methanone is O=C(c1ccccc1C(F)(F)F)N1CCN=C1N1CCOCC1.
What is the InChIKey of (2-morpholin-4-yl-4,5-dihydroimidazol-1-yl)-[2-(trifluoromethyl)phenyl]methanone?
The InChIKey is LHCOKPTZNBRVOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3O2/c16-15(17,18)12-4-2-1-3-11(12)13(22)21-6-5-19-14(21)20-7-9-23-10-8-20/h1-4H,5-10H2.
What are the key properties of (2-morpholin-4-yl-4,5-dihydroimidazol-1-yl)-[2-(trifluoromethyl)phenyl]methanone?
(2-morpholin-4-yl-4,5-dihydroimidazol-1-yl)-[2-(trifluoromethyl)phenyl]methanone has a molecular weight of 327.31 g/mol, XLogP of 1.85, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-morpholin-4-yl-4,5-dihydroimidazol-1-yl)-[2-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 53200158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).