5-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)-4,5-dihydro-1H-imidazol-2-amine;hydroiodide

C12H20IN5 — CID 120970830

About 5-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)-4,5-dihydro-1H-imidazol-2-amine;hydroiodide

5-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)-4,5-dihydro-1H-imidazol-2-amine;hydroiodide (PubChem CID 120970830) has the molecular formula C12H20IN5 and a molecular weight of 361.23 g/mol. Its IUPAC name is 5-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)-4,5-dihydro-1H-imidazol-2-amine;hydroiodide.

Molecular Properties

• Compound Name: 5-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)-4,5-dihydro-1H-imidazol-2-amine;hydroiodide
• PubChem CID: 120970830
• Molecular Formula: C12H20IN5
• Molecular Weight: 361.23 g/mol
• Exact Mass: 361.08
• IUPAC Name: 5-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)-4,5-dihydro-1H-imidazol-2-amine;hydroiodide
• SMILES: CC1CN=C(NCc2cn3c(n2)CCCC3)N1.I
• InChI: InChI=1S/C12H19N5.HI/c1-9-6-13-12(15-9)14-7-10-8-17-5-3-2-4-11(17)16-10;/h8-9H,2-7H2,1H3,(H2,13,14,15);1H
• InChIKey: IGBKNMRKZZLXCJ-UHFFFAOYSA-N
• XLogP: 1.27
• TPSA: 54.24 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	361.23
LogP ≤ 5	1.27
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)-4,5-dihydro-1H-imidazol-2-amine;hydroiodide?

The IUPAC name of 5-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)-4,5-dihydro-1H-imidazol-2-amine;hydroiodide (CID 120970830) is 5-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)-4,5-dihydro-1H-imidazol-2-amine;hydroiodide.

What is the SMILES notation for 5-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)-4,5-dihydro-1H-imidazol-2-amine;hydroiodide?

The canonical SMILES for 5-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)-4,5-dihydro-1H-imidazol-2-amine;hydroiodide is CC1CN=C(NCc2cn3c(n2)CCCC3)N1.I.

What is the InChIKey of 5-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)-4,5-dihydro-1H-imidazol-2-amine;hydroiodide?

The InChIKey is IGBKNMRKZZLXCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5.HI/c1-9-6-13-12(15-9)14-7-10-8-17-5-3-2-4-11(17)16-10;/h8-9H,2-7H2,1H3,(H2,13,14,15);1H.

What are the key properties of 5-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)-4,5-dihydro-1H-imidazol-2-amine;hydroiodide?

5-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)-4,5-dihydro-1H-imidazol-2-amine;hydroiodide has a molecular weight of 361.23 g/mol, XLogP of 1.27, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)-4,5-dihydro-1H-imidazol-2-amine;hydroiodide is sourced from PubChem (CID 120970830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).