(E)-3-[3-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]-N-(3-iodophenyl)prop-2-enamide

C23H19IN4O2 — CID 11584315

About (E)-3-[3-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]-N-(3-iodophenyl)prop-2-enamide

(E)-3-[3-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]-N-(3-iodophenyl)prop-2-enamide (PubChem CID 11584315) has the molecular formula C23H19IN4O2 and a molecular weight of 510.34 g/mol. Its IUPAC name is (E)-3-[3-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]-N-(3-iodophenyl)prop-2-enamide.

Molecular Properties

• Compound Name: (E)-3-[3-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]-N-(3-iodophenyl)prop-2-enamide
• PubChem CID: 11584315
• Molecular Formula: C23H19IN4O2
• Molecular Weight: 510.34 g/mol
• Exact Mass: 510.06
• IUPAC Name: (E)-3-[3-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]-N-(3-iodophenyl)prop-2-enamide
• SMILES: O=C(/C=C/c1cccc(Oc2ccnc(C3=NCCN3)c2)c1)Nc1cccc(I)c1
• InChI: InChI=1S/C23H19IN4O2/c24-17-4-2-5-18(14-17)28-22(29)8-7-16-3-1-6-19(13-16)30-20-9-10-25-21(15-20)23-26-11-12-27-23/h1-10,13-15H,11-12H2,(H,26,27)(H,28,29)/b8-7+
• InChIKey: GESRAHGVCYNZMT-BQYQJAHWSA-N
• XLogP: 4.48
• TPSA: 75.61 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	510.34
LogP ≤ 5	4.48
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (E)-3-[3-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]-N-(3-iodophenyl)prop-2-enamide?

The IUPAC name of (E)-3-[3-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]-N-(3-iodophenyl)prop-2-enamide (CID 11584315) is (E)-3-[3-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]-N-(3-iodophenyl)prop-2-enamide.

What is the SMILES notation for (E)-3-[3-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]-N-(3-iodophenyl)prop-2-enamide?

The canonical SMILES for (E)-3-[3-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]-N-(3-iodophenyl)prop-2-enamide is O=C(/C=C/c1cccc(Oc2ccnc(C3=NCCN3)c2)c1)Nc1cccc(I)c1.

What is the InChIKey of (E)-3-[3-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]-N-(3-iodophenyl)prop-2-enamide?

The InChIKey is GESRAHGVCYNZMT-BQYQJAHWSA-N. The full InChI is InChI=1S/C23H19IN4O2/c24-17-4-2-5-18(14-17)28-22(29)8-7-16-3-1-6-19(13-16)30-20-9-10-25-21(15-20)23-26-11-12-27-23/h1-10,13-15H,11-12H2,(H,26,27)(H,28,29)/b8-7+.

What are the key properties of (E)-3-[3-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]-N-(3-iodophenyl)prop-2-enamide?

(E)-3-[3-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]-N-(3-iodophenyl)prop-2-enamide has a molecular weight of 510.34 g/mol, XLogP of 4.48, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-3-[3-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]-N-(3-iodophenyl)prop-2-enamide is sourced from PubChem (CID 11584315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).