[3-fluoro-2-[4-[3-(5-methylfuran-2-yl)butyl]piperazin-1-yl]phenyl]-(1-methylimidazol-2-yl)methanol

C24H31FN4O2 — CID 110220788

About [3-fluoro-2-[4-[3-(5-methylfuran-2-yl)butyl]piperazin-1-yl]phenyl]-(1-methylimidazol-2-yl)methanol

[3-fluoro-2-[4-[3-(5-methylfuran-2-yl)butyl]piperazin-1-yl]phenyl]-(1-methylimidazol-2-yl)methanol (PubChem CID 110220788) has the molecular formula C24H31FN4O2 and a molecular weight of 426.54 g/mol. Its IUPAC name is [3-fluoro-2-[4-[3-(5-methylfuran-2-yl)butyl]piperazin-1-yl]phenyl]-(1-methylimidazol-2-yl)methanol.

Molecular Properties

• Compound Name: [3-fluoro-2-[4-[3-(5-methylfuran-2-yl)butyl]piperazin-1-yl]phenyl]-(1-methylimidazol-2-yl)methanol
• PubChem CID: 110220788
• Molecular Formula: C24H31FN4O2
• Molecular Weight: 426.54 g/mol
• Exact Mass: 426.24
• IUPAC Name: [3-fluoro-2-[4-[3-(5-methylfuran-2-yl)butyl]piperazin-1-yl]phenyl]-(1-methylimidazol-2-yl)methanol
• SMILES: Cc1ccc(C(C)CCN2CCN(c3c(F)cccc3C(O)c3nccn3C)CC2)o1
• InChI: InChI=1S/C24H31FN4O2/c1-17(21-8-7-18(2)31-21)9-11-28-13-15-29(16-14-28)22-19(5-4-6-20(22)25)23(30)24-26-10-12-27(24)3/h4-8,10,12,17,23,30H,9,11,13-16H2,1-3H3
• InChIKey: VHJGYNMETPVMRE-UHFFFAOYSA-N
• XLogP: 3.86
• TPSA: 57.67 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	426.54
LogP ≤ 5	3.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-2-[4-[3-(5-methylfuran-2-yl)butyl]piperazin-1-yl]phenyl]-(1-methylimidazol-2-yl)methanol?

The IUPAC name of [3-fluoro-2-[4-[3-(5-methylfuran-2-yl)butyl]piperazin-1-yl]phenyl]-(1-methylimidazol-2-yl)methanol (CID 110220788) is [3-fluoro-2-[4-[3-(5-methylfuran-2-yl)butyl]piperazin-1-yl]phenyl]-(1-methylimidazol-2-yl)methanol.

What is the SMILES notation for [3-fluoro-2-[4-[3-(5-methylfuran-2-yl)butyl]piperazin-1-yl]phenyl]-(1-methylimidazol-2-yl)methanol?

The canonical SMILES for [3-fluoro-2-[4-[3-(5-methylfuran-2-yl)butyl]piperazin-1-yl]phenyl]-(1-methylimidazol-2-yl)methanol is Cc1ccc(C(C)CCN2CCN(c3c(F)cccc3C(O)c3nccn3C)CC2)o1.

What is the InChIKey of [3-fluoro-2-[4-[3-(5-methylfuran-2-yl)butyl]piperazin-1-yl]phenyl]-(1-methylimidazol-2-yl)methanol?

The InChIKey is VHJGYNMETPVMRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31FN4O2/c1-17(21-8-7-18(2)31-21)9-11-28-13-15-29(16-14-28)22-19(5-4-6-20(22)25)23(30)24-26-10-12-27(24)3/h4-8,10,12,17,23,30H,9,11,13-16H2,1-3H3.

What are the key properties of [3-fluoro-2-[4-[3-(5-methylfuran-2-yl)butyl]piperazin-1-yl]phenyl]-(1-methylimidazol-2-yl)methanol?

[3-fluoro-2-[4-[3-(5-methylfuran-2-yl)butyl]piperazin-1-yl]phenyl]-(1-methylimidazol-2-yl)methanol has a molecular weight of 426.54 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [3-fluoro-2-[4-[3-(5-methylfuran-2-yl)butyl]piperazin-1-yl]phenyl]-(1-methylimidazol-2-yl)methanol is sourced from PubChem (CID 110220788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).