1-[(3S)-3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidine-1-carbonyl]imidazolidin-2-one

C14H15F3N4O3 — CID 100738977

IUPAC1-[(3S)-3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidine-1-carbonyl]imidazolidin-2-one
SMILESO=C1NCCN1C(=O)N1CC[C@H](Oc2cc(C(F)(F)F)ccn2)C1
InChIInChI=1S/C14H15F3N4O3/c15-14(16,17)9-1-3-18-11(7-9)24-10-2-5-20(8-10)13(23)21-6-4-19-12(21)22/h1,3,7,10H,2,4-6,8H2,(H,19,22)/t10-/m0/s1
InChIKeySAJPRUQZKNRSLS-JTQLQIEISA-N
MW344.29 g/mol
LogP1.70
Rot. Bonds2

About 1-[(3S)-3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidine-1-carbonyl]imidazolidin-2-one

1-[(3S)-3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidine-1-carbonyl]imidazolidin-2-one (PubChem CID 100738977) has the molecular formula C14H15F3N4O3 and a molecular weight of 344.29 g/mol. Its IUPAC name is 1-[(3S)-3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidine-1-carbonyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[(3S)-3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidine-1-carbonyl]imidazolidin-2-one
PubChem CID100738977
Molecular FormulaC14H15F3N4O3
Molecular Weight344.29 g/mol
Exact Mass344.11
IUPAC Name1-[(3S)-3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidine-1-carbonyl]imidazolidin-2-one
SMILESO=C1NCCN1C(=O)N1CC[C@H](Oc2cc(C(F)(F)F)ccn2)C1
InChIInChI=1S/C14H15F3N4O3/c15-14(16,17)9-1-3-18-11(7-9)24-10-2-5-20(8-10)13(23)21-6-4-19-12(21)22/h1,3,7,10H,2,4-6,8H2,(H,19,22)/t10-/m0/s1
InChIKeySAJPRUQZKNRSLS-JTQLQIEISA-N
XLogP1.70
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.29
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidine-1-carbonyl]imidazolidin-2-one?
The IUPAC name of 1-[(3S)-3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidine-1-carbonyl]imidazolidin-2-one (CID 100738977) is 1-[(3S)-3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidine-1-carbonyl]imidazolidin-2-one.
What is the SMILES notation for 1-[(3S)-3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidine-1-carbonyl]imidazolidin-2-one?
The canonical SMILES for 1-[(3S)-3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidine-1-carbonyl]imidazolidin-2-one is O=C1NCCN1C(=O)N1CC[C@H](Oc2cc(C(F)(F)F)ccn2)C1.
What is the InChIKey of 1-[(3S)-3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidine-1-carbonyl]imidazolidin-2-one?
The InChIKey is SAJPRUQZKNRSLS-JTQLQIEISA-N. The full InChI is InChI=1S/C14H15F3N4O3/c15-14(16,17)9-1-3-18-11(7-9)24-10-2-5-20(8-10)13(23)21-6-4-19-12(21)22/h1,3,7,10H,2,4-6,8H2,(H,19,22)/t10-/m0/s1.
What are the key properties of 1-[(3S)-3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidine-1-carbonyl]imidazolidin-2-one?
1-[(3S)-3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidine-1-carbonyl]imidazolidin-2-one has a molecular weight of 344.29 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidine-1-carbonyl]imidazolidin-2-one is sourced from PubChem (CID 100738977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).