N-(2-fluorophenyl)-5-[5-(4-fluorophenyl)-3-(oxolan-2-ylmethyl)imidazol-4-yl]furan-2-carboxamide

C25H21F2N3O3 — CID 154685922

About N-(2-fluorophenyl)-5-[5-(4-fluorophenyl)-3-(oxolan-2-ylmethyl)imidazol-4-yl]furan-2-carboxamide

N-(2-fluorophenyl)-5-[5-(4-fluorophenyl)-3-(oxolan-2-ylmethyl)imidazol-4-yl]furan-2-carboxamide (PubChem CID 154685922) has the molecular formula C25H21F2N3O3 and a molecular weight of 449.46 g/mol. Its IUPAC name is N-(2-fluorophenyl)-5-[5-(4-fluorophenyl)-3-(oxolan-2-ylmethyl)imidazol-4-yl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-(2-fluorophenyl)-5-[5-(4-fluorophenyl)-3-(oxolan-2-ylmethyl)imidazol-4-yl]furan-2-carboxamide
• PubChem CID: 154685922
• Molecular Formula: C25H21F2N3O3
• Molecular Weight: 449.46 g/mol
• Exact Mass: 449.16
• IUPAC Name: N-(2-fluorophenyl)-5-[5-(4-fluorophenyl)-3-(oxolan-2-ylmethyl)imidazol-4-yl]furan-2-carboxamide
• SMILES: O=C(Nc1ccccc1F)c1ccc(-c2c(-c3ccc(F)cc3)ncn2CC2CCCO2)o1
• InChI: InChI=1S/C25H21F2N3O3/c26-17-9-7-16(8-10-17)23-24(30(15-28-23)14-18-4-3-13-32-18)21-11-12-22(33-21)25(31)29-20-6-2-1-5-19(20)27/h1-2,5-12,15,18H,3-4,13-14H2,(H,29,31)
• InChIKey: AJSYWVVZBHGYEW-UHFFFAOYSA-N
• XLogP: 5.52
• TPSA: 69.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	449.46
LogP ≤ 5	5.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-(2-fluorophenyl)-5-[5-(4-fluorophenyl)-3-(oxolan-2-ylmethyl)imidazol-4-yl]furan-2-carboxamide (CID 154685922) is N-(2-fluorophenyl)-5-[5-(4-fluorophenyl)-3-(oxolan-2-ylmethyl)imidazol-4-yl]furan-2-carboxamide.

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

The canonical SMILES for N-(2-fluorophenyl)-5-[5-(4-fluorophenyl)-3-(oxolan-2-ylmethyl)imidazol-4-yl]furan-2-carboxamide is O=C(Nc1ccccc1F)c1ccc(-c2c(-c3ccc(F)cc3)ncn2CC2CCCO2)o1.

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

The InChIKey is AJSYWVVZBHGYEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F2N3O3/c26-17-9-7-16(8-10-17)23-24(30(15-28-23)14-18-4-3-13-32-18)21-11-12-22(33-21)25(31)29-20-6-2-1-5-19(20)27/h1-2,5-12,15,18H,3-4,13-14H2,(H,29,31).

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

N-(2-fluorophenyl)-5-[5-(4-fluorophenyl)-3-(oxolan-2-ylmethyl)imidazol-4-yl]furan-2-carboxamide has a molecular weight of 449.46 g/mol, XLogP of 5.52, 6 rotatable bonds, 1 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-(oxolan-2-ylmethyl)imidazol-4-yl]furan-2-carboxamide is sourced from PubChem (CID 154685922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).