2-[1-[(2-fluorophenyl)methyl]-4-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]piperazin-2-yl]ethanol

C24H29FN4O2 — CID 45186433

About 2-[1-[(2-fluorophenyl)methyl]-4-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]piperazin-2-yl]ethanol

2-[1-[(2-fluorophenyl)methyl]-4-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]piperazin-2-yl]ethanol (PubChem CID 45186433) has the molecular formula C24H29FN4O2 and a molecular weight of 424.52 g/mol. Its IUPAC name is 2-[1-[(2-fluorophenyl)methyl]-4-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]piperazin-2-yl]ethanol.

Molecular Properties

• Compound Name: 2-[1-[(2-fluorophenyl)methyl]-4-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]piperazin-2-yl]ethanol
• PubChem CID: 45186433
• Molecular Formula: C24H29FN4O2
• Molecular Weight: 424.52 g/mol
• Exact Mass: 424.23
• IUPAC Name: 2-[1-[(2-fluorophenyl)methyl]-4-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]piperazin-2-yl]ethanol
• SMILES: COc1ccc(-n2ccnc2CN2CCN(Cc3ccccc3F)C(CCO)C2)cc1
• InChI: InChI=1S/C24H29FN4O2/c1-31-22-8-6-20(7-9-22)29-12-11-26-24(29)18-27-13-14-28(21(17-27)10-15-30)16-19-4-2-3-5-23(19)25/h2-9,11-12,21,30H,10,13-18H2,1H3
• InChIKey: WZIGWJXFBITYDN-UHFFFAOYSA-N
• XLogP: 3.09
• TPSA: 53.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	424.52
LogP ≤ 5	3.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-fluorophenyl)methyl]-4-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]piperazin-2-yl]ethanol?

The IUPAC name of 2-[1-[(2-fluorophenyl)methyl]-4-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]piperazin-2-yl]ethanol (CID 45186433) is 2-[1-[(2-fluorophenyl)methyl]-4-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]piperazin-2-yl]ethanol.

What is the SMILES notation for 2-[1-[(2-fluorophenyl)methyl]-4-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]piperazin-2-yl]ethanol?

The canonical SMILES for 2-[1-[(2-fluorophenyl)methyl]-4-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]piperazin-2-yl]ethanol is COc1ccc(-n2ccnc2CN2CCN(Cc3ccccc3F)C(CCO)C2)cc1.

What is the InChIKey of 2-[1-[(2-fluorophenyl)methyl]-4-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]piperazin-2-yl]ethanol?

The InChIKey is WZIGWJXFBITYDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN4O2/c1-31-22-8-6-20(7-9-22)29-12-11-26-24(29)18-27-13-14-28(21(17-27)10-15-30)16-19-4-2-3-5-23(19)25/h2-9,11-12,21,30H,10,13-18H2,1H3.

What are the key properties of 2-[1-[(2-fluorophenyl)methyl]-4-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]piperazin-2-yl]ethanol?

2-[1-[(2-fluorophenyl)methyl]-4-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]piperazin-2-yl]ethanol has a molecular weight of 424.52 g/mol, XLogP of 3.09, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[(2-fluorophenyl)methyl]-4-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]piperazin-2-yl]ethanol is sourced from PubChem (CID 45186433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).