N-(2-fluorophenyl)-5-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]furan-2-carboxamide

C25H22F2N4O2 — CID 154685972

About N-(2-fluorophenyl)-5-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]furan-2-carboxamide

N-(2-fluorophenyl)-5-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]furan-2-carboxamide (PubChem CID 154685972) has the molecular formula C25H22F2N4O2 and a molecular weight of 448.47 g/mol. Its IUPAC name is N-(2-fluorophenyl)-5-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-(2-fluorophenyl)-5-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]furan-2-carboxamide
• PubChem CID: 154685972
• Molecular Formula: C25H22F2N4O2
• Molecular Weight: 448.47 g/mol
• Exact Mass: 448.17
• IUPAC Name: N-(2-fluorophenyl)-5-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]furan-2-carboxamide
• SMILES: O=C(Nc1ccccc1F)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2CCNCC2)o1
• InChI: InChI=1S/C25H22F2N4O2/c26-17-7-5-16(6-8-17)23-24(31(15-29-23)18-11-13-28-14-12-18)21-9-10-22(33-21)25(32)30-20-4-2-1-3-19(20)27/h1-10,15,18,28H,11-14H2,(H,30,32)
• InChIKey: MQYVDLRYHQIXBD-UHFFFAOYSA-N
• XLogP: 5.27
• TPSA: 72.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	448.47
LogP ≤ 5	5.27
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-5-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]furan-2-carboxamide?

The IUPAC name of N-(2-fluorophenyl)-5-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]furan-2-carboxamide (CID 154685972) is N-(2-fluorophenyl)-5-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]furan-2-carboxamide.

What is the SMILES notation for N-(2-fluorophenyl)-5-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]furan-2-carboxamide?

The canonical SMILES for N-(2-fluorophenyl)-5-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]furan-2-carboxamide is O=C(Nc1ccccc1F)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2CCNCC2)o1.

What is the InChIKey of N-(2-fluorophenyl)-5-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]furan-2-carboxamide?

The InChIKey is MQYVDLRYHQIXBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F2N4O2/c26-17-7-5-16(6-8-17)23-24(31(15-29-23)18-11-13-28-14-12-18)21-9-10-22(33-21)25(32)30-20-4-2-1-3-19(20)27/h1-10,15,18,28H,11-14H2,(H,30,32).

What are the key properties of N-(2-fluorophenyl)-5-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]furan-2-carboxamide?

N-(2-fluorophenyl)-5-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]furan-2-carboxamide has a molecular weight of 448.47 g/mol, XLogP of 5.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-fluorophenyl)-5-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]furan-2-carboxamide is sourced from PubChem (CID 154685972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).