1-[(4-fluorophenyl)methyl]-3-[4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)propanoyl]-2-pyridinyl]imidazolidin-2-one

C21H20FN5O3 — CID 58247878

About 1-[(4-fluorophenyl)methyl]-3-[4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)propanoyl]-2-pyridinyl]imidazolidin-2-one

1-[(4-fluorophenyl)methyl]-3-[4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)propanoyl]-2-pyridinyl]imidazolidin-2-one (PubChem CID 58247878) has the molecular formula C21H20FN5O3 and a molecular weight of 409.42 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-3-[4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)propanoyl]-2-pyridinyl]imidazolidin-2-one.

Molecular Properties

• Compound Name: 1-[(4-fluorophenyl)methyl]-3-[4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)propanoyl]-2-pyridinyl]imidazolidin-2-one
• PubChem CID: 58247878
• Molecular Formula: C21H20FN5O3
• Molecular Weight: 409.42 g/mol
• Exact Mass: 409.16
• IUPAC Name: 1-[(4-fluorophenyl)methyl]-3-[4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)propanoyl]-2-pyridinyl]imidazolidin-2-one
• SMILES: Cc1nnc(CCC(=O)c2ccnc(N3CCN(Cc4ccc(F)cc4)C3=O)c2)o1
• InChI: InChI=1S/C21H20FN5O3/c1-14-24-25-20(30-14)7-6-18(28)16-8-9-23-19(12-16)27-11-10-26(21(27)29)13-15-2-4-17(22)5-3-15/h2-5,8-9,12H,6-7,10-11,13H2,1H3
• InChIKey: BGLFPJKCPQSYSU-UHFFFAOYSA-N
• XLogP: 3.17
• TPSA: 92.43 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	409.42
LogP ≤ 5	3.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-3-[4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)propanoyl]-2-pyridinyl]imidazolidin-2-one?

The IUPAC name of 1-[(4-fluorophenyl)methyl]-3-[4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)propanoyl]-2-pyridinyl]imidazolidin-2-one (CID 58247878) is 1-[(4-fluorophenyl)methyl]-3-[4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)propanoyl]-2-pyridinyl]imidazolidin-2-one.

What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-3-[4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)propanoyl]-2-pyridinyl]imidazolidin-2-one?

The canonical SMILES for 1-[(4-fluorophenyl)methyl]-3-[4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)propanoyl]-2-pyridinyl]imidazolidin-2-one is Cc1nnc(CCC(=O)c2ccnc(N3CCN(Cc4ccc(F)cc4)C3=O)c2)o1.

What is the InChIKey of 1-[(4-fluorophenyl)methyl]-3-[4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)propanoyl]-2-pyridinyl]imidazolidin-2-one?

The InChIKey is BGLFPJKCPQSYSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN5O3/c1-14-24-25-20(30-14)7-6-18(28)16-8-9-23-19(12-16)27-11-10-26(21(27)29)13-15-2-4-17(22)5-3-15/h2-5,8-9,12H,6-7,10-11,13H2,1H3.

What are the key properties of 1-[(4-fluorophenyl)methyl]-3-[4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)propanoyl]-2-pyridinyl]imidazolidin-2-one?

1-[(4-fluorophenyl)methyl]-3-[4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)propanoyl]-2-pyridinyl]imidazolidin-2-one has a molecular weight of 409.42 g/mol, XLogP of 3.17, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(4-fluorophenyl)methyl]-3-[4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)propanoyl]-2-pyridinyl]imidazolidin-2-one is sourced from PubChem (CID 58247878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).