2-[2-[(E)-[amino(anilino)methylidene]amino]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(3,5-dichlorophenyl)acetamide

C18H16Cl2N6O2 — CID 17228837

About 2-[2-[(E)-[amino(anilino)methylidene]amino]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(3,5-dichlorophenyl)acetamide

2-[2-[(E)-[amino(anilino)methylidene]amino]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(3,5-dichlorophenyl)acetamide (PubChem CID 17228837) has the molecular formula C18H16Cl2N6O2 and a molecular weight of 419.27 g/mol. Its IUPAC name is 2-[2-[(E)-[amino(anilino)methylidene]amino]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(3,5-dichlorophenyl)acetamide.

Molecular Properties

• Compound Name: 2-[2-[(E)-[amino(anilino)methylidene]amino]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(3,5-dichlorophenyl)acetamide
• PubChem CID: 17228837
• Molecular Formula: C18H16Cl2N6O2
• Molecular Weight: 419.27 g/mol
• Exact Mass: 418.07
• IUPAC Name: 2-[2-[(E)-[amino(anilino)methylidene]amino]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(3,5-dichlorophenyl)acetamide
• SMILES: N/C(=N\C1=NC(CC(=O)Nc2cc(Cl)cc(Cl)c2)C(=O)N1)Nc1ccccc1
• InChI: InChI=1S/C18H16Cl2N6O2/c19-10-6-11(20)8-13(7-10)22-15(27)9-14-16(28)25-18(24-14)26-17(21)23-12-4-2-1-3-5-12/h1-8,14H,9H2,(H,22,27)(H4,21,23,24,25,26,28)
• InChIKey: VSHKHOVJOLPZIU-UHFFFAOYSA-N
• XLogP: 2.60
• TPSA: 120.97 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	419.27
LogP ≤ 5	2.60
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(E)-[amino(anilino)methylidene]amino]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(3,5-dichlorophenyl)acetamide?

The IUPAC name of 2-[2-[(E)-[amino(anilino)methylidene]amino]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(3,5-dichlorophenyl)acetamide (CID 17228837) is 2-[2-[(E)-[amino(anilino)methylidene]amino]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(3,5-dichlorophenyl)acetamide.

What is the SMILES notation for 2-[2-[(E)-[amino(anilino)methylidene]amino]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(3,5-dichlorophenyl)acetamide?

The canonical SMILES for 2-[2-[(E)-[amino(anilino)methylidene]amino]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(3,5-dichlorophenyl)acetamide is N/C(=N\C1=NC(CC(=O)Nc2cc(Cl)cc(Cl)c2)C(=O)N1)Nc1ccccc1.

What is the InChIKey of 2-[2-[(E)-[amino(anilino)methylidene]amino]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(3,5-dichlorophenyl)acetamide?

The InChIKey is VSHKHOVJOLPZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N6O2/c19-10-6-11(20)8-13(7-10)22-15(27)9-14-16(28)25-18(24-14)26-17(21)23-12-4-2-1-3-5-12/h1-8,14H,9H2,(H,22,27)(H4,21,23,24,25,26,28).

What are the key properties of 2-[2-[(E)-[amino(anilino)methylidene]amino]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(3,5-dichlorophenyl)acetamide?

2-[2-[(E)-[amino(anilino)methylidene]amino]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(3,5-dichlorophenyl)acetamide has a molecular weight of 419.27 g/mol, XLogP of 2.60, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[(E)-[amino(anilino)methylidene]amino]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(3,5-dichlorophenyl)acetamide is sourced from PubChem (CID 17228837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).