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

C21H24N6O2 — CID 43841183

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

2-[2-[(E)-[amino-(3-methylanilino)methylidene]amino]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(2-ethylphenyl)acetamide (PubChem CID 43841183) has the molecular formula C21H24N6O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is 2-[2-[(E)-[amino-(3-methylanilino)methylidene]amino]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(2-ethylphenyl)acetamide.

Molecular Properties

• Compound Name: 2-[2-[(E)-[amino-(3-methylanilino)methylidene]amino]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(2-ethylphenyl)acetamide
• PubChem CID: 43841183
• Molecular Formula: C21H24N6O2
• Molecular Weight: 392.46 g/mol
• Exact Mass: 392.20
• IUPAC Name: 2-[2-[(E)-[amino-(3-methylanilino)methylidene]amino]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(2-ethylphenyl)acetamide
• SMILES: CCc1ccccc1NC(=O)CC1N=C(/N=C(\N)Nc2cccc(C)c2)NC1=O
• InChI: InChI=1S/C21H24N6O2/c1-3-14-8-4-5-10-16(14)24-18(28)12-17-19(29)26-21(25-17)27-20(22)23-15-9-6-7-13(2)11-15/h4-11,17H,3,12H2,1-2H3,(H,24,28)(H4,22,23,25,26,27,29)
• InChIKey: TZJQUBLSSBWFOH-UHFFFAOYSA-N
• XLogP: 2.17
• TPSA: 120.97 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	392.46
LogP ≤ 5	2.17
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-(3-methylanilino)methylidene]amino]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(2-ethylphenyl)acetamide?

The IUPAC name of 2-[2-[(E)-[amino-(3-methylanilino)methylidene]amino]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(2-ethylphenyl)acetamide (CID 43841183) is 2-[2-[(E)-[amino-(3-methylanilino)methylidene]amino]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(2-ethylphenyl)acetamide.

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

The canonical SMILES for 2-[2-[(E)-[amino-(3-methylanilino)methylidene]amino]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(2-ethylphenyl)acetamide is CCc1ccccc1NC(=O)CC1N=C(/N=C(\N)Nc2cccc(C)c2)NC1=O.

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

The InChIKey is TZJQUBLSSBWFOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O2/c1-3-14-8-4-5-10-16(14)24-18(28)12-17-19(29)26-21(25-17)27-20(22)23-15-9-6-7-13(2)11-15/h4-11,17H,3,12H2,1-2H3,(H,24,28)(H4,22,23,25,26,27,29).

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

2-[2-[(E)-[amino-(3-methylanilino)methylidene]amino]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(2-ethylphenyl)acetamide has a molecular weight of 392.46 g/mol, XLogP of 2.17, 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-(3-methylanilino)methylidene]amino]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(2-ethylphenyl)acetamide is sourced from PubChem (CID 43841183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).