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

C14H15F3N4O3 — CID 100738977

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 Name: 1-[(3S)-3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidine-1-carbonyl]imidazolidin-2-one
• PubChem CID: 100738977
• Molecular Formula: C14H15F3N4O3
• Molecular Weight: 344.29 g/mol
• Exact Mass: 344.11
• IUPAC Name: 1-[(3S)-3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidine-1-carbonyl]imidazolidin-2-one
• SMILES: O=C1NCCN1C(=O)N1CC[C@H](Oc2cc(C(F)(F)F)ccn2)C1
• InChI: 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
• InChIKey: SAJPRUQZKNRSLS-JTQLQIEISA-N
• XLogP: 1.70
• TPSA: 74.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	344.29
LogP ≤ 5	1.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

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).