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

C22H22F6N4O2 — CID 90321883

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

2-[(5S)-2-oxo-5-propan-2-yl-3-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-1-yl]-N-[3-(trifluoromethyl)phenyl]propanamide (PubChem CID 90321883) has the molecular formula C22H22F6N4O2 and a molecular weight of 488.43 g/mol. Its IUPAC name is 2-[(5S)-2-oxo-5-propan-2-yl-3-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-1-yl]-N-[3-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

• Compound Name: 2-[(5S)-2-oxo-5-propan-2-yl-3-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-1-yl]-N-[3-(trifluoromethyl)phenyl]propanamide
• PubChem CID: 90321883
• Molecular Formula: C22H22F6N4O2
• Molecular Weight: 488.43 g/mol
• Exact Mass: 488.16
• IUPAC Name: 2-[(5S)-2-oxo-5-propan-2-yl-3-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-1-yl]-N-[3-(trifluoromethyl)phenyl]propanamide
• SMILES: CC(C)[C@H]1CN(c2ccc(C(F)(F)F)nc2)C(=O)N1C(C)C(=O)Nc1cccc(C(F)(F)F)c1
• InChI: InChI=1S/C22H22F6N4O2/c1-12(2)17-11-31(16-7-8-18(29-10-16)22(26,27)28)20(34)32(17)13(3)19(33)30-15-6-4-5-14(9-15)21(23,24)25/h4-10,12-13,17H,11H2,1-3H3,(H,30,33)/t13?,17-/m1/s1
• InChIKey: FULIGCVDQHHSOV-LRHAYUFXSA-N
• XLogP: 5.41
• TPSA: 65.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	488.43
LogP ≤ 5	5.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of 2-[(5S)-2-oxo-5-propan-2-yl-3-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-1-yl]-N-[3-(trifluoromethyl)phenyl]propanamide (CID 90321883) is 2-[(5S)-2-oxo-5-propan-2-yl-3-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-1-yl]-N-[3-(trifluoromethyl)phenyl]propanamide.

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

The canonical SMILES for 2-[(5S)-2-oxo-5-propan-2-yl-3-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-1-yl]-N-[3-(trifluoromethyl)phenyl]propanamide is CC(C)[C@H]1CN(c2ccc(C(F)(F)F)nc2)C(=O)N1C(C)C(=O)Nc1cccc(C(F)(F)F)c1.

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

The InChIKey is FULIGCVDQHHSOV-LRHAYUFXSA-N. The full InChI is InChI=1S/C22H22F6N4O2/c1-12(2)17-11-31(16-7-8-18(29-10-16)22(26,27)28)20(34)32(17)13(3)19(33)30-15-6-4-5-14(9-15)21(23,24)25/h4-10,12-13,17H,11H2,1-3H3,(H,30,33)/t13?,17-/m1/s1.

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

2-[(5S)-2-oxo-5-propan-2-yl-3-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-1-yl]-N-[3-(trifluoromethyl)phenyl]propanamide has a molecular weight of 488.43 g/mol, XLogP of 5.41, 5 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-propan-2-yl-3-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-1-yl]-N-[3-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 90321883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).