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

C12H12F3N3O — CID 3526138

IUPAC1-prop-2-enyl-3-[5-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one
SMILESC=CCN1CCN(c2ccc(C(F)(F)F)cn2)C1=O
InChIInChI=1S/C12H12F3N3O/c1-2-5-17-6-7-18(11(17)19)10-4-3-9(8-16-10)12(13,14)15/h2-4,8H,1,5-7H2
InChIKeyDYSNRLNRSAWWEL-UHFFFAOYSA-N
MW271.24 g/mol
LogP2.53
Rot. Bonds3

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

1-prop-2-enyl-3-[5-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one (PubChem CID 3526138) has the molecular formula C12H12F3N3O and a molecular weight of 271.24 g/mol. Its IUPAC name is 1-prop-2-enyl-3-[5-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-prop-2-enyl-3-[5-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one
PubChem CID3526138
Molecular FormulaC12H12F3N3O
Molecular Weight271.24 g/mol
Exact Mass271.09
IUPAC Name1-prop-2-enyl-3-[5-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one
SMILESC=CCN1CCN(c2ccc(C(F)(F)F)cn2)C1=O
InChIInChI=1S/C12H12F3N3O/c1-2-5-17-6-7-18(11(17)19)10-4-3-9(8-16-10)12(13,14)15/h2-4,8H,1,5-7H2
InChIKeyDYSNRLNRSAWWEL-UHFFFAOYSA-N
XLogP2.53
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.24
LogP ≤ 52.53
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-prop-2-enyl-3-[5-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one?
The IUPAC name of 1-prop-2-enyl-3-[5-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one (CID 3526138) is 1-prop-2-enyl-3-[5-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one.
What is the SMILES notation for 1-prop-2-enyl-3-[5-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one?
The canonical SMILES for 1-prop-2-enyl-3-[5-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one is C=CCN1CCN(c2ccc(C(F)(F)F)cn2)C1=O.
What is the InChIKey of 1-prop-2-enyl-3-[5-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one?
The InChIKey is DYSNRLNRSAWWEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3O/c1-2-5-17-6-7-18(11(17)19)10-4-3-9(8-16-10)12(13,14)15/h2-4,8H,1,5-7H2.
What are the key properties of 1-prop-2-enyl-3-[5-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one?
1-prop-2-enyl-3-[5-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one has a molecular weight of 271.24 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enyl-3-[5-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one is sourced from PubChem (CID 3526138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).