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

C13H16F3N3O — CID 5174411

IUPAC1-butyl-3-[5-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one
SMILESCCCCN1CCN(c2ccc(C(F)(F)F)cn2)C1=O
InChIInChI=1S/C13H16F3N3O/c1-2-3-6-18-7-8-19(12(18)20)11-5-4-10(9-17-11)13(14,15)16/h4-5,9H,2-3,6-8H2,1H3
InChIKeyZFLOHUYYOBPJCT-UHFFFAOYSA-N
MW287.28 g/mol
LogP3.14
Rot. Bonds4

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

1-butyl-3-[5-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one (PubChem CID 5174411) has the molecular formula C13H16F3N3O and a molecular weight of 287.28 g/mol. Its IUPAC name is 1-butyl-3-[5-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-butyl-3-[5-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one
PubChem CID5174411
Molecular FormulaC13H16F3N3O
Molecular Weight287.28 g/mol
Exact Mass287.12
IUPAC Name1-butyl-3-[5-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one
SMILESCCCCN1CCN(c2ccc(C(F)(F)F)cn2)C1=O
InChIInChI=1S/C13H16F3N3O/c1-2-3-6-18-7-8-19(12(18)20)11-5-4-10(9-17-11)13(14,15)16/h4-5,9H,2-3,6-8H2,1H3
InChIKeyZFLOHUYYOBPJCT-UHFFFAOYSA-N
XLogP3.14
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-[5-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one?
The IUPAC name of 1-butyl-3-[5-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one (CID 5174411) is 1-butyl-3-[5-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one.
What is the SMILES notation for 1-butyl-3-[5-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one?
The canonical SMILES for 1-butyl-3-[5-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one is CCCCN1CCN(c2ccc(C(F)(F)F)cn2)C1=O.
What is the InChIKey of 1-butyl-3-[5-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one?
The InChIKey is ZFLOHUYYOBPJCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3O/c1-2-3-6-18-7-8-19(12(18)20)11-5-4-10(9-17-11)13(14,15)16/h4-5,9H,2-3,6-8H2,1H3.
What are the key properties of 1-butyl-3-[5-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one?
1-butyl-3-[5-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one has a molecular weight of 287.28 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-[5-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one is sourced from PubChem (CID 5174411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).