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

C20H22N6O2 — CID 17228827

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

2-[2-[(E)-[amino(anilino)methylidene]amino]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(4-ethylphenyl)acetamide (PubChem CID 17228827) has the molecular formula C20H22N6O2 and a molecular weight of 378.44 g/mol. Its IUPAC name is 2-[2-[(E)-[amino(anilino)methylidene]amino]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(4-ethylphenyl)acetamide.

Molecular Properties

• Compound Name: 2-[2-[(E)-[amino(anilino)methylidene]amino]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(4-ethylphenyl)acetamide
• PubChem CID: 17228827
• Molecular Formula: C20H22N6O2
• Molecular Weight: 378.44 g/mol
• Exact Mass: 378.18
• IUPAC Name: 2-[2-[(E)-[amino(anilino)methylidene]amino]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(4-ethylphenyl)acetamide
• SMILES: CCc1ccc(NC(=O)CC2N=C(/N=C(\N)Nc3ccccc3)NC2=O)cc1
• InChI: InChI=1S/C20H22N6O2/c1-2-13-8-10-15(11-9-13)22-17(27)12-16-18(28)25-20(24-16)26-19(21)23-14-6-4-3-5-7-14/h3-11,16H,2,12H2,1H3,(H,22,27)(H4,21,23,24,25,26,28)
• InChIKey: UJBUQXAHJYKYEX-UHFFFAOYSA-N
• XLogP: 1.86
• TPSA: 120.97 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	378.44
LogP ≤ 5	1.86
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-(4-ethylphenyl)acetamide?

The IUPAC name of 2-[2-[(E)-[amino(anilino)methylidene]amino]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(4-ethylphenyl)acetamide (CID 17228827) is 2-[2-[(E)-[amino(anilino)methylidene]amino]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(4-ethylphenyl)acetamide.

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

The canonical SMILES for 2-[2-[(E)-[amino(anilino)methylidene]amino]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(4-ethylphenyl)acetamide is CCc1ccc(NC(=O)CC2N=C(/N=C(\N)Nc3ccccc3)NC2=O)cc1.

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

The InChIKey is UJBUQXAHJYKYEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O2/c1-2-13-8-10-15(11-9-13)22-17(27)12-16-18(28)25-20(24-16)26-19(21)23-14-6-4-3-5-7-14/h3-11,16H,2,12H2,1H3,(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-(4-ethylphenyl)acetamide?

2-[2-[(E)-[amino(anilino)methylidene]amino]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(4-ethylphenyl)acetamide has a molecular weight of 378.44 g/mol, XLogP of 1.86, 5 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-(4-ethylphenyl)acetamide is sourced from PubChem (CID 17228827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).