1-[(2,4-dimethoxyphenyl)methyl]-N-[(6-methoxynaphthalen-2-yl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide

C24H28IN3O3 — CID 166367279

About 1-[(2,4-dimethoxyphenyl)methyl]-N-[(6-methoxynaphthalen-2-yl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide

1-[(2,4-dimethoxyphenyl)methyl]-N-[(6-methoxynaphthalen-2-yl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide (PubChem CID 166367279) has the molecular formula C24H28IN3O3 and a molecular weight of 533.41 g/mol. Its IUPAC name is 1-[(2,4-dimethoxyphenyl)methyl]-N-[(6-methoxynaphthalen-2-yl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide.

Molecular Properties

• Compound Name: 1-[(2,4-dimethoxyphenyl)methyl]-N-[(6-methoxynaphthalen-2-yl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide
• PubChem CID: 166367279
• Molecular Formula: C24H28IN3O3
• Molecular Weight: 533.41 g/mol
• Exact Mass: 533.12
• IUPAC Name: 1-[(2,4-dimethoxyphenyl)methyl]-N-[(6-methoxynaphthalen-2-yl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide
• SMILES: COc1ccc(CN2CCN=C2NCc2ccc3cc(OC)ccc3c2)c(OC)c1.I
• InChI: InChI=1S/C24H27N3O3.HI/c1-28-21-8-6-18-12-17(4-5-19(18)13-21)15-26-24-25-10-11-27(24)16-20-7-9-22(29-2)14-23(20)30-3;/h4-9,12-14H,10-11,15-16H2,1-3H3,(H,25,26);1H
• InChIKey: BNGQGGMHTIVCMK-UHFFFAOYSA-N
• XLogP: 4.45
• TPSA: 55.32 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	533.41
LogP ≤ 5	4.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dimethoxyphenyl)methyl]-N-[(6-methoxynaphthalen-2-yl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide?

The IUPAC name of 1-[(2,4-dimethoxyphenyl)methyl]-N-[(6-methoxynaphthalen-2-yl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide (CID 166367279) is 1-[(2,4-dimethoxyphenyl)methyl]-N-[(6-methoxynaphthalen-2-yl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide.

What is the SMILES notation for 1-[(2,4-dimethoxyphenyl)methyl]-N-[(6-methoxynaphthalen-2-yl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide?

The canonical SMILES for 1-[(2,4-dimethoxyphenyl)methyl]-N-[(6-methoxynaphthalen-2-yl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide is COc1ccc(CN2CCN=C2NCc2ccc3cc(OC)ccc3c2)c(OC)c1.I.

What is the InChIKey of 1-[(2,4-dimethoxyphenyl)methyl]-N-[(6-methoxynaphthalen-2-yl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide?

The InChIKey is BNGQGGMHTIVCMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3.HI/c1-28-21-8-6-18-12-17(4-5-19(18)13-21)15-26-24-25-10-11-27(24)16-20-7-9-22(29-2)14-23(20)30-3;/h4-9,12-14H,10-11,15-16H2,1-3H3,(H,25,26);1H.

What are the key properties of 1-[(2,4-dimethoxyphenyl)methyl]-N-[(6-methoxynaphthalen-2-yl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide?

1-[(2,4-dimethoxyphenyl)methyl]-N-[(6-methoxynaphthalen-2-yl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide has a molecular weight of 533.41 g/mol, XLogP of 4.45, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2,4-dimethoxyphenyl)methyl]-N-[(6-methoxynaphthalen-2-yl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide is sourced from PubChem (CID 166367279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).