1-[2-[3-(morpholin-4-ylmethyl)phenyl]-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]ethanone

C23H22F3N3O2 — CID 53323994

IUPAC1-[2-[3-(morpholin-4-ylmethyl)phenyl]-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]ethanone
SMILESCC(=O)n1cc(-c2cccc(C(F)(F)F)c2)nc1-c1cccc(CN2CCOCC2)c1
InChIInChI=1S/C23H22F3N3O2/c1-16(30)29-15-21(18-5-3-7-20(13-18)23(24,25)26)27-22(29)19-6-2-4-17(12-19)14-28-8-10-31-11-9-28/h2-7,12-13,15H,8-11,14H2,1H3
InChIKeyGODCOWOFXDZXGO-UHFFFAOYSA-N
MW429.44 g/mol
LogP4.73
Rot. Bonds4

About 1-[2-[3-(morpholin-4-ylmethyl)phenyl]-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]ethanone

1-[2-[3-(morpholin-4-ylmethyl)phenyl]-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]ethanone (PubChem CID 53323994) has the molecular formula C23H22F3N3O2 and a molecular weight of 429.44 g/mol. Its IUPAC name is 1-[2-[3-(morpholin-4-ylmethyl)phenyl]-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]ethanone.

Molecular Properties

Compound Name1-[2-[3-(morpholin-4-ylmethyl)phenyl]-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]ethanone
PubChem CID53323994
Molecular FormulaC23H22F3N3O2
Molecular Weight429.44 g/mol
Exact Mass429.17
IUPAC Name1-[2-[3-(morpholin-4-ylmethyl)phenyl]-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]ethanone
SMILESCC(=O)n1cc(-c2cccc(C(F)(F)F)c2)nc1-c1cccc(CN2CCOCC2)c1
InChIInChI=1S/C23H22F3N3O2/c1-16(30)29-15-21(18-5-3-7-20(13-18)23(24,25)26)27-22(29)19-6-2-4-17(12-19)14-28-8-10-31-11-9-28/h2-7,12-13,15H,8-11,14H2,1H3
InChIKeyGODCOWOFXDZXGO-UHFFFAOYSA-N
XLogP4.73
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.44
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(morpholin-4-ylmethyl)phenyl]-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]ethanone?
The IUPAC name of 1-[2-[3-(morpholin-4-ylmethyl)phenyl]-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]ethanone (CID 53323994) is 1-[2-[3-(morpholin-4-ylmethyl)phenyl]-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]ethanone.
What is the SMILES notation for 1-[2-[3-(morpholin-4-ylmethyl)phenyl]-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]ethanone?
The canonical SMILES for 1-[2-[3-(morpholin-4-ylmethyl)phenyl]-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]ethanone is CC(=O)n1cc(-c2cccc(C(F)(F)F)c2)nc1-c1cccc(CN2CCOCC2)c1.
What is the InChIKey of 1-[2-[3-(morpholin-4-ylmethyl)phenyl]-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]ethanone?
The InChIKey is GODCOWOFXDZXGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F3N3O2/c1-16(30)29-15-21(18-5-3-7-20(13-18)23(24,25)26)27-22(29)19-6-2-4-17(12-19)14-28-8-10-31-11-9-28/h2-7,12-13,15H,8-11,14H2,1H3.
What are the key properties of 1-[2-[3-(morpholin-4-ylmethyl)phenyl]-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]ethanone?
1-[2-[3-(morpholin-4-ylmethyl)phenyl]-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]ethanone has a molecular weight of 429.44 g/mol, XLogP of 4.73, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(morpholin-4-ylmethyl)phenyl]-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]ethanone is sourced from PubChem (CID 53323994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).