5-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide

C15H25IN6 — CID 120969659

About 5-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide

5-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide (PubChem CID 120969659) has the molecular formula C15H25IN6 and a molecular weight of 416.31 g/mol. Its IUPAC name is 5-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide.

Molecular Properties

• Compound Name: 5-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide
• PubChem CID: 120969659
• Molecular Formula: C15H25IN6
• Molecular Weight: 416.31 g/mol
• Exact Mass: 416.12
• IUPAC Name: 5-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide
• SMILES: CC1CN=C(NCc2ccnc(N3CCN(C)CC3)c2)N1.I
• InChI: InChI=1S/C15H24N6.HI/c1-12-10-17-15(19-12)18-11-13-3-4-16-14(9-13)21-7-5-20(2)6-8-21;/h3-4,9,12H,5-8,10-11H2,1-2H3,(H2,17,18,19);1H
• InChIKey: QPAVUAHAYIRGPC-UHFFFAOYSA-N
• XLogP: 0.89
• TPSA: 55.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	416.31
LogP ≤ 5	0.89
H-Bond Donors ≤ 5	2
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 5-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide?

The IUPAC name of 5-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide (CID 120969659) is 5-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide.

What is the SMILES notation for 5-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide?

The canonical SMILES for 5-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide is CC1CN=C(NCc2ccnc(N3CCN(C)CC3)c2)N1.I.

What is the InChIKey of 5-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide?

The InChIKey is QPAVUAHAYIRGPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6.HI/c1-12-10-17-15(19-12)18-11-13-3-4-16-14(9-13)21-7-5-20(2)6-8-21;/h3-4,9,12H,5-8,10-11H2,1-2H3,(H2,17,18,19);1H.

What are the key properties of 5-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide?

5-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide has a molecular weight of 416.31 g/mol, XLogP of 0.89, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide is sourced from PubChem (CID 120969659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).