1-pyridin-3-yl-3-[4-(2,2,2-trifluoroethyl)phenyl]imidazolidin-2-one

C16H14F3N3O — CID 150091015

IUPAC1-pyridin-3-yl-3-[4-(2,2,2-trifluoroethyl)phenyl]imidazolidin-2-one
SMILESO=C1N(c2ccc(CC(F)(F)F)cc2)CCN1c1cccnc1
InChIInChI=1S/C16H14F3N3O/c17-16(18,19)10-12-3-5-13(6-4-12)21-8-9-22(15(21)23)14-2-1-7-20-11-14/h1-7,11H,8-10H2
InChIKeyDTFPMOUBXMLQSS-UHFFFAOYSA-N
MW321.30 g/mol
LogP3.63
Rot. Bonds3

About 1-pyridin-3-yl-3-[4-(2,2,2-trifluoroethyl)phenyl]imidazolidin-2-one

1-pyridin-3-yl-3-[4-(2,2,2-trifluoroethyl)phenyl]imidazolidin-2-one (PubChem CID 150091015) has the molecular formula C16H14F3N3O and a molecular weight of 321.30 g/mol. Its IUPAC name is 1-pyridin-3-yl-3-[4-(2,2,2-trifluoroethyl)phenyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-pyridin-3-yl-3-[4-(2,2,2-trifluoroethyl)phenyl]imidazolidin-2-one
PubChem CID150091015
Molecular FormulaC16H14F3N3O
Molecular Weight321.30 g/mol
Exact Mass321.11
IUPAC Name1-pyridin-3-yl-3-[4-(2,2,2-trifluoroethyl)phenyl]imidazolidin-2-one
SMILESO=C1N(c2ccc(CC(F)(F)F)cc2)CCN1c1cccnc1
InChIInChI=1S/C16H14F3N3O/c17-16(18,19)10-12-3-5-13(6-4-12)21-8-9-22(15(21)23)14-2-1-7-20-11-14/h1-7,11H,8-10H2
InChIKeyDTFPMOUBXMLQSS-UHFFFAOYSA-N
XLogP3.63
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.30
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-pyridin-3-yl-3-[4-(2,2,2-trifluoroethyl)phenyl]imidazolidin-2-one?
The IUPAC name of 1-pyridin-3-yl-3-[4-(2,2,2-trifluoroethyl)phenyl]imidazolidin-2-one (CID 150091015) is 1-pyridin-3-yl-3-[4-(2,2,2-trifluoroethyl)phenyl]imidazolidin-2-one.
What is the SMILES notation for 1-pyridin-3-yl-3-[4-(2,2,2-trifluoroethyl)phenyl]imidazolidin-2-one?
The canonical SMILES for 1-pyridin-3-yl-3-[4-(2,2,2-trifluoroethyl)phenyl]imidazolidin-2-one is O=C1N(c2ccc(CC(F)(F)F)cc2)CCN1c1cccnc1.
What is the InChIKey of 1-pyridin-3-yl-3-[4-(2,2,2-trifluoroethyl)phenyl]imidazolidin-2-one?
The InChIKey is DTFPMOUBXMLQSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N3O/c17-16(18,19)10-12-3-5-13(6-4-12)21-8-9-22(15(21)23)14-2-1-7-20-11-14/h1-7,11H,8-10H2.
What are the key properties of 1-pyridin-3-yl-3-[4-(2,2,2-trifluoroethyl)phenyl]imidazolidin-2-one?
1-pyridin-3-yl-3-[4-(2,2,2-trifluoroethyl)phenyl]imidazolidin-2-one has a molecular weight of 321.30 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-3-yl-3-[4-(2,2,2-trifluoroethyl)phenyl]imidazolidin-2-one is sourced from PubChem (CID 150091015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).