2-[(5S)-2-oxo-5-propyl-3-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide

C21H20F6N4O2 — CID 90321970

About 2-[(5S)-2-oxo-5-propyl-3-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide

2-[(5S)-2-oxo-5-propyl-3-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 90321970) has the molecular formula C21H20F6N4O2 and a molecular weight of 474.41 g/mol. Its IUPAC name is 2-[(5S)-2-oxo-5-propyl-3-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

• Compound Name: 2-[(5S)-2-oxo-5-propyl-3-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
• PubChem CID: 90321970
• Molecular Formula: C21H20F6N4O2
• Molecular Weight: 474.41 g/mol
• Exact Mass: 474.15
• IUPAC Name: 2-[(5S)-2-oxo-5-propyl-3-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
• SMILES: CCC[C@H]1CN(c2ccc(C(F)(F)F)nc2)C(=O)N1CC(=O)Nc1cccc(C(F)(F)F)c1
• InChI: InChI=1S/C21H20F6N4O2/c1-2-4-16-11-30(15-7-8-17(28-10-15)21(25,26)27)19(33)31(16)12-18(32)29-14-6-3-5-13(9-14)20(22,23)24/h3,5-10,16H,2,4,11-12H2,1H3,(H,29,32)/t16-/m0/s1
• InChIKey: QCRDOXROQQVSLV-INIZCTEOSA-N
• XLogP: 5.17
• TPSA: 65.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	474.41
LogP ≤ 5	5.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-[(5S)-2-oxo-5-propyl-3-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?

The IUPAC name of 2-[(5S)-2-oxo-5-propyl-3-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide (CID 90321970) is 2-[(5S)-2-oxo-5-propyl-3-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide.

What is the SMILES notation for 2-[(5S)-2-oxo-5-propyl-3-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?

The canonical SMILES for 2-[(5S)-2-oxo-5-propyl-3-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide is CCC[C@H]1CN(c2ccc(C(F)(F)F)nc2)C(=O)N1CC(=O)Nc1cccc(C(F)(F)F)c1.

What is the InChIKey of 2-[(5S)-2-oxo-5-propyl-3-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?

The InChIKey is QCRDOXROQQVSLV-INIZCTEOSA-N. The full InChI is InChI=1S/C21H20F6N4O2/c1-2-4-16-11-30(15-7-8-17(28-10-15)21(25,26)27)19(33)31(16)12-18(32)29-14-6-3-5-13(9-14)20(22,23)24/h3,5-10,16H,2,4,11-12H2,1H3,(H,29,32)/t16-/m0/s1.

What are the key properties of 2-[(5S)-2-oxo-5-propyl-3-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?

2-[(5S)-2-oxo-5-propyl-3-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 474.41 g/mol, XLogP of 5.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(5S)-2-oxo-5-propyl-3-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 90321970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).