1-[2-(diethylamino)ethyl]-3-[5-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one

C15H21F3N4O — CID 3956906

IUPAC1-[2-(diethylamino)ethyl]-3-[5-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one
SMILESCCN(CC)CCN1CCN(c2ccc(C(F)(F)F)cn2)C1=O
InChIInChI=1S/C15H21F3N4O/c1-3-20(4-2)7-8-21-9-10-22(14(21)23)13-6-5-12(11-19-13)15(16,17)18/h5-6,11H,3-4,7-10H2,1-2H3
InChIKeyJEHWCGQRJFJFIN-UHFFFAOYSA-N
MW330.35 g/mol
LogP2.68
Rot. Bonds6

About 1-[2-(diethylamino)ethyl]-3-[5-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one

1-[2-(diethylamino)ethyl]-3-[5-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one (PubChem CID 3956906) has the molecular formula C15H21F3N4O and a molecular weight of 330.35 g/mol. Its IUPAC name is 1-[2-(diethylamino)ethyl]-3-[5-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-(diethylamino)ethyl]-3-[5-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one
PubChem CID3956906
Molecular FormulaC15H21F3N4O
Molecular Weight330.35 g/mol
Exact Mass330.17
IUPAC Name1-[2-(diethylamino)ethyl]-3-[5-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one
SMILESCCN(CC)CCN1CCN(c2ccc(C(F)(F)F)cn2)C1=O
InChIInChI=1S/C15H21F3N4O/c1-3-20(4-2)7-8-21-9-10-22(14(21)23)13-6-5-12(11-19-13)15(16,17)18/h5-6,11H,3-4,7-10H2,1-2H3
InChIKeyJEHWCGQRJFJFIN-UHFFFAOYSA-N
XLogP2.68
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(diethylamino)ethyl]-3-[5-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one?
The IUPAC name of 1-[2-(diethylamino)ethyl]-3-[5-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one (CID 3956906) is 1-[2-(diethylamino)ethyl]-3-[5-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-(diethylamino)ethyl]-3-[5-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-(diethylamino)ethyl]-3-[5-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one is CCN(CC)CCN1CCN(c2ccc(C(F)(F)F)cn2)C1=O.
What is the InChIKey of 1-[2-(diethylamino)ethyl]-3-[5-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one?
The InChIKey is JEHWCGQRJFJFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N4O/c1-3-20(4-2)7-8-21-9-10-22(14(21)23)13-6-5-12(11-19-13)15(16,17)18/h5-6,11H,3-4,7-10H2,1-2H3.
What are the key properties of 1-[2-(diethylamino)ethyl]-3-[5-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one?
1-[2-(diethylamino)ethyl]-3-[5-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one has a molecular weight of 330.35 g/mol, XLogP of 2.68, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(diethylamino)ethyl]-3-[5-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one is sourced from PubChem (CID 3956906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).