6-methyl-N-[(Z)-(4-pentoxyphenyl)methylideneamino]-1H-benzimidazol-2-amine

C₂₀H₂₄N₄O — CID 110511992

About 6-methyl-N-[(Z)-(4-pentoxyphenyl)methylideneamino]-1H-benzimidazol-2-amine

6-methyl-N-[(Z)-(4-pentoxyphenyl)methylideneamino]-1H-benzimidazol-2-amine (PubChem CID 110511992) has the molecular formula C₂₀H₂₄N₄O and a molecular weight of 336.44 g/mol. Its IUPAC name is 6-methyl-N-[(Z)-(4-pentoxyphenyl)methylideneamino]-1H-benzimidazol-2-amine.

Molecular Properties

• Compound Name: 6-methyl-N-[(Z)-(4-pentoxyphenyl)methylideneamino]-1H-benzimidazol-2-amine
• PubChem CID: 110511992
• Molecular Formula: C₂₀H₂₄N₄O
• Molecular Weight: 336.44 g/mol
• Exact Mass: 336.20
• IUPAC Name: 6-methyl-N-[(Z)-(4-pentoxyphenyl)methylideneamino]-1H-benzimidazol-2-amine
• SMILES: CCCCCOc1ccc(/C=N\Nc2nc3ccc(C)cc3[nH]2)cc1
• InChI: InChI=1S/C20H24N4O/c1-3-4-5-12-25-17-9-7-16(8-10-17)14-21-24-20-22-18-11-6-15(2)13-19(18)23-20/h6-11,13-14H,3-5,12H2,1-2H3,(H2,22,23,24)/b21-14-
• InChIKey: FWIKTOUDSBASFS-STZFKDTASA-N
• XLogP: 4.89
• TPSA: 62.30 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	336.44
LogP ≤ 5	4.89
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[(Z)-(4-pentoxyphenyl)methylideneamino]-1H-benzimidazol-2-amine?

The IUPAC name of 6-methyl-N-[(Z)-(4-pentoxyphenyl)methylideneamino]-1H-benzimidazol-2-amine (CID 110511992) is 6-methyl-N-[(Z)-(4-pentoxyphenyl)methylideneamino]-1H-benzimidazol-2-amine.

What is the SMILES notation for 6-methyl-N-[(Z)-(4-pentoxyphenyl)methylideneamino]-1H-benzimidazol-2-amine?

The canonical SMILES for 6-methyl-N-[(Z)-(4-pentoxyphenyl)methylideneamino]-1H-benzimidazol-2-amine is CCCCCOc1ccc(/C=N\Nc2nc3ccc(C)cc3[nH]2)cc1.

What is the InChIKey of 6-methyl-N-[(Z)-(4-pentoxyphenyl)methylideneamino]-1H-benzimidazol-2-amine?

The InChIKey is FWIKTOUDSBASFS-STZFKDTASA-N. The full InChI is InChI=1S/C20H24N4O/c1-3-4-5-12-25-17-9-7-16(8-10-17)14-21-24-20-22-18-11-6-15(2)13-19(18)23-20/h6-11,13-14H,3-5,12H2,1-2H3,(H2,22,23,24)/b21-14-.

What are the key properties of 6-methyl-N-[(Z)-(4-pentoxyphenyl)methylideneamino]-1H-benzimidazol-2-amine?

6-methyl-N-[(Z)-(4-pentoxyphenyl)methylideneamino]-1H-benzimidazol-2-amine has a molecular weight of 336.44 g/mol, XLogP of 4.89, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-methyl-N-[(Z)-(4-pentoxyphenyl)methylideneamino]-1H-benzimidazol-2-amine is sourced from PubChem (CID 110511992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 110511992 — identifiers, structure, computed properties (public domain)

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