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

C14H16F3N3O — CID 3564727

IUPAC1-(3-methylbut-2-enyl)-3-[5-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one
SMILESCC(C)=CCN1CCN(c2ccc(C(F)(F)F)cn2)C1=O
InChIInChI=1S/C14H16F3N3O/c1-10(2)5-6-19-7-8-20(13(19)21)12-4-3-11(9-18-12)14(15,16)17/h3-5,9H,6-8H2,1-2H3
InChIKeyQMSLFHHPFXMOHZ-UHFFFAOYSA-N
MW299.30 g/mol
LogP3.31
Rot. Bonds3

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

1-(3-methylbut-2-enyl)-3-[5-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one (PubChem CID 3564727) has the molecular formula C14H16F3N3O and a molecular weight of 299.30 g/mol. Its IUPAC name is 1-(3-methylbut-2-enyl)-3-[5-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-(3-methylbut-2-enyl)-3-[5-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one
PubChem CID3564727
Molecular FormulaC14H16F3N3O
Molecular Weight299.30 g/mol
Exact Mass299.12
IUPAC Name1-(3-methylbut-2-enyl)-3-[5-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one
SMILESCC(C)=CCN1CCN(c2ccc(C(F)(F)F)cn2)C1=O
InChIInChI=1S/C14H16F3N3O/c1-10(2)5-6-19-7-8-20(13(19)21)12-4-3-11(9-18-12)14(15,16)17/h3-5,9H,6-8H2,1-2H3
InChIKeyQMSLFHHPFXMOHZ-UHFFFAOYSA-N
XLogP3.31
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbut-2-enyl)-3-[5-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one?
The IUPAC name of 1-(3-methylbut-2-enyl)-3-[5-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one (CID 3564727) is 1-(3-methylbut-2-enyl)-3-[5-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one.
What is the SMILES notation for 1-(3-methylbut-2-enyl)-3-[5-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one?
The canonical SMILES for 1-(3-methylbut-2-enyl)-3-[5-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one is CC(C)=CCN1CCN(c2ccc(C(F)(F)F)cn2)C1=O.
What is the InChIKey of 1-(3-methylbut-2-enyl)-3-[5-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one?
The InChIKey is QMSLFHHPFXMOHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3O/c1-10(2)5-6-19-7-8-20(13(19)21)12-4-3-11(9-18-12)14(15,16)17/h3-5,9H,6-8H2,1-2H3.
What are the key properties of 1-(3-methylbut-2-enyl)-3-[5-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one?
1-(3-methylbut-2-enyl)-3-[5-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one has a molecular weight of 299.30 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbut-2-enyl)-3-[5-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one is sourced from PubChem (CID 3564727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).