2-[4-[(1E,3E)-4-[5-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]buta-1,3-dienyl]phenyl]-4,5-dihydro-1H-imidazole

C24H22N4O — CID 5478794

About 2-[4-[(1E,3E)-4-[5-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]buta-1,3-dienyl]phenyl]-4,5-dihydro-1H-imidazole

2-[4-[(1E,3E)-4-[5-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]buta-1,3-dienyl]phenyl]-4,5-dihydro-1H-imidazole (PubChem CID 5478794) has the molecular formula C24H22N4O and a molecular weight of 382.47 g/mol. Its IUPAC name is 2-[4-[(1E,3E)-4-[5-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]buta-1,3-dienyl]phenyl]-4,5-dihydro-1H-imidazole.

Molecular Properties

• Compound Name: 2-[4-[(1E,3E)-4-[5-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]buta-1,3-dienyl]phenyl]-4,5-dihydro-1H-imidazole
• PubChem CID: 5478794
• Molecular Formula: C24H22N4O
• Molecular Weight: 382.47 g/mol
• Exact Mass: 382.18
• IUPAC Name: 2-[4-[(1E,3E)-4-[5-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]buta-1,3-dienyl]phenyl]-4,5-dihydro-1H-imidazole
• SMILES: C(/C=C/c1cc2cc(C3=NCCN3)ccc2o1)=C\c1ccc(C2=NCCN2)cc1
• InChI: InChI=1S/C24H22N4O/c1(3-17-5-7-18(8-6-17)23-25-11-12-26-23)2-4-21-16-20-15-19(9-10-22(20)29-21)24-27-13-14-28-24/h1-10,15-16H,11-14H2,(H,25,26)(H,27,28)/b3-1+,4-2+
• InChIKey: PVFHJKCUWBOEEB-ZPUQHVIOSA-N
• XLogP: 3.86
• TPSA: 61.92 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	382.47
LogP ≤ 5	3.86
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1E,3E)-4-[5-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]buta-1,3-dienyl]phenyl]-4,5-dihydro-1H-imidazole?

The IUPAC name of 2-[4-[(1E,3E)-4-[5-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]buta-1,3-dienyl]phenyl]-4,5-dihydro-1H-imidazole (CID 5478794) is 2-[4-[(1E,3E)-4-[5-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]buta-1,3-dienyl]phenyl]-4,5-dihydro-1H-imidazole.

What is the SMILES notation for 2-[4-[(1E,3E)-4-[5-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]buta-1,3-dienyl]phenyl]-4,5-dihydro-1H-imidazole?

The canonical SMILES for 2-[4-[(1E,3E)-4-[5-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]buta-1,3-dienyl]phenyl]-4,5-dihydro-1H-imidazole is C(/C=C/c1cc2cc(C3=NCCN3)ccc2o1)=C\c1ccc(C2=NCCN2)cc1.

What is the InChIKey of 2-[4-[(1E,3E)-4-[5-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]buta-1,3-dienyl]phenyl]-4,5-dihydro-1H-imidazole?

The InChIKey is PVFHJKCUWBOEEB-ZPUQHVIOSA-N. The full InChI is InChI=1S/C24H22N4O/c1(3-17-5-7-18(8-6-17)23-25-11-12-26-23)2-4-21-16-20-15-19(9-10-22(20)29-21)24-27-13-14-28-24/h1-10,15-16H,11-14H2,(H,25,26)(H,27,28)/b3-1+,4-2+.

What are the key properties of 2-[4-[(1E,3E)-4-[5-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]buta-1,3-dienyl]phenyl]-4,5-dihydro-1H-imidazole?

2-[4-[(1E,3E)-4-[5-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]buta-1,3-dienyl]phenyl]-4,5-dihydro-1H-imidazole has a molecular weight of 382.47 g/mol, XLogP of 3.86, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[(1E,3E)-4-[5-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]buta-1,3-dienyl]phenyl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 5478794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).