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

C19H18Cl2N6O2 — CID 43841180

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

2-[2-[(E)-[amino-(3-methylanilino)methylidene]amino]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(2,3-dichlorophenyl)acetamide (PubChem CID 43841180) has the molecular formula C19H18Cl2N6O2 and a molecular weight of 433.30 g/mol. Its IUPAC name is 2-[2-[(E)-[amino-(3-methylanilino)methylidene]amino]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(2,3-dichlorophenyl)acetamide.

Molecular Properties

• Compound Name: 2-[2-[(E)-[amino-(3-methylanilino)methylidene]amino]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(2,3-dichlorophenyl)acetamide
• PubChem CID: 43841180
• Molecular Formula: C19H18Cl2N6O2
• Molecular Weight: 433.30 g/mol
• Exact Mass: 432.09
• IUPAC Name: 2-[2-[(E)-[amino-(3-methylanilino)methylidene]amino]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(2,3-dichlorophenyl)acetamide
• SMILES: Cc1cccc(N/C(N)=N/C2=NC(CC(=O)Nc3cccc(Cl)c3Cl)C(=O)N2)c1
• InChI: InChI=1S/C19H18Cl2N6O2/c1-10-4-2-5-11(8-10)23-18(22)27-19-25-14(17(29)26-19)9-15(28)24-13-7-3-6-12(20)16(13)21/h2-8,14H,9H2,1H3,(H,24,28)(H4,22,23,25,26,27,29)
• InChIKey: QECUMBBZCVBSFB-UHFFFAOYSA-N
• XLogP: 2.91
• TPSA: 120.97 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.30
LogP ≤ 5	2.91
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-(2,3-dichlorophenyl)acetamide?

The IUPAC name of 2-[2-[(E)-[amino-(3-methylanilino)methylidene]amino]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(2,3-dichlorophenyl)acetamide (CID 43841180) is 2-[2-[(E)-[amino-(3-methylanilino)methylidene]amino]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(2,3-dichlorophenyl)acetamide.

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

The canonical SMILES for 2-[2-[(E)-[amino-(3-methylanilino)methylidene]amino]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(2,3-dichlorophenyl)acetamide is Cc1cccc(N/C(N)=N/C2=NC(CC(=O)Nc3cccc(Cl)c3Cl)C(=O)N2)c1.

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

The InChIKey is QECUMBBZCVBSFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N6O2/c1-10-4-2-5-11(8-10)23-18(22)27-19-25-14(17(29)26-19)9-15(28)24-13-7-3-6-12(20)16(13)21/h2-8,14H,9H2,1H3,(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-(2,3-dichlorophenyl)acetamide?

2-[2-[(E)-[amino-(3-methylanilino)methylidene]amino]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(2,3-dichlorophenyl)acetamide has a molecular weight of 433.30 g/mol, XLogP of 2.91, 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-(3-methylanilino)methylidene]amino]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(2,3-dichlorophenyl)acetamide is sourced from PubChem (CID 43841180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).