1-[(2R)-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]propanoyl]imidazolidin-2-one

C18H25FN4O3 — CID 8972500

About 1-[(2R)-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]propanoyl]imidazolidin-2-one

1-[(2R)-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]propanoyl]imidazolidin-2-one (PubChem CID 8972500) has the molecular formula C18H25FN4O3 and a molecular weight of 364.42 g/mol. Its IUPAC name is 1-[(2R)-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]propanoyl]imidazolidin-2-one.

Molecular Properties

• Compound Name: 1-[(2R)-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]propanoyl]imidazolidin-2-one
• PubChem CID: 8972500
• Molecular Formula: C18H25FN4O3
• Molecular Weight: 364.42 g/mol
• Exact Mass: 364.19
• IUPAC Name: 1-[(2R)-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]propanoyl]imidazolidin-2-one
• SMILES: COc1ccc(F)cc1CN1CCN([C@H](C)C(=O)N2CCNC2=O)CC1
• InChI: InChI=1S/C18H25FN4O3/c1-13(17(24)23-6-5-20-18(23)25)22-9-7-21(8-10-22)12-14-11-15(19)3-4-16(14)26-2/h3-4,11,13H,5-10,12H2,1-2H3,(H,20,25)/t13-/m1/s1
• InChIKey: YXCOUJDMVDNFQP-CYBMUJFWSA-N
• XLogP: 0.89
• TPSA: 65.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	364.42
LogP ≤ 5	0.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]propanoyl]imidazolidin-2-one?

The IUPAC name of 1-[(2R)-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]propanoyl]imidazolidin-2-one (CID 8972500) is 1-[(2R)-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]propanoyl]imidazolidin-2-one.

What is the SMILES notation for 1-[(2R)-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]propanoyl]imidazolidin-2-one?

The canonical SMILES for 1-[(2R)-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]propanoyl]imidazolidin-2-one is COc1ccc(F)cc1CN1CCN([C@H](C)C(=O)N2CCNC2=O)CC1.

What is the InChIKey of 1-[(2R)-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]propanoyl]imidazolidin-2-one?

The InChIKey is YXCOUJDMVDNFQP-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H25FN4O3/c1-13(17(24)23-6-5-20-18(23)25)22-9-7-21(8-10-22)12-14-11-15(19)3-4-16(14)26-2/h3-4,11,13H,5-10,12H2,1-2H3,(H,20,25)/t13-/m1/s1.

What are the key properties of 1-[(2R)-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]propanoyl]imidazolidin-2-one?

1-[(2R)-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]propanoyl]imidazolidin-2-one has a molecular weight of 364.42 g/mol, XLogP of 0.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2R)-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]propanoyl]imidazolidin-2-one is sourced from PubChem (CID 8972500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).