2-[2-(furan-2-yl)ethyl]-1-(2-pyridin-2-ylethyl)-3-(1,2,3,4-tetrahydronaphthalen-2-yl)guanidine;hydroiodide

C24H29IN4O — CID 111357385

About 2-[2-(furan-2-yl)ethyl]-1-(2-pyridin-2-ylethyl)-3-(1,2,3,4-tetrahydronaphthalen-2-yl)guanidine;hydroiodide

2-[2-(furan-2-yl)ethyl]-1-(2-pyridin-2-ylethyl)-3-(1,2,3,4-tetrahydronaphthalen-2-yl)guanidine;hydroiodide (PubChem CID 111357385) has the molecular formula C24H29IN4O and a molecular weight of 516.43 g/mol. Its IUPAC name is 2-[2-(furan-2-yl)ethyl]-1-(2-pyridin-2-ylethyl)-3-(1,2,3,4-tetrahydronaphthalen-2-yl)guanidine;hydroiodide.

Molecular Properties

• Compound Name: 2-[2-(furan-2-yl)ethyl]-1-(2-pyridin-2-ylethyl)-3-(1,2,3,4-tetrahydronaphthalen-2-yl)guanidine;hydroiodide
• PubChem CID: 111357385
• Molecular Formula: C24H29IN4O
• Molecular Weight: 516.43 g/mol
• Exact Mass: 516.14
• IUPAC Name: 2-[2-(furan-2-yl)ethyl]-1-(2-pyridin-2-ylethyl)-3-(1,2,3,4-tetrahydronaphthalen-2-yl)guanidine;hydroiodide
• SMILES: I.c1ccc(CCN/C(=N\CCc2ccco2)NC2CCc3ccccc3C2)nc1
• InChI: InChI=1S/C24H28N4O.HI/c1-2-7-20-18-22(11-10-19(20)6-1)28-24(27-16-13-23-9-5-17-29-23)26-15-12-21-8-3-4-14-25-21;/h1-9,14,17,22H,10-13,15-16,18H2,(H2,26,27,28);1H
• InChIKey: CBLZFRBOFPNNFR-UHFFFAOYSA-N
• XLogP: 4.17
• TPSA: 62.45 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	516.43
LogP ≤ 5	4.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[2-(furan-2-yl)ethyl]-1-(2-pyridin-2-ylethyl)-3-(1,2,3,4-tetrahydronaphthalen-2-yl)guanidine;hydroiodide?

The IUPAC name of 2-[2-(furan-2-yl)ethyl]-1-(2-pyridin-2-ylethyl)-3-(1,2,3,4-tetrahydronaphthalen-2-yl)guanidine;hydroiodide (CID 111357385) is 2-[2-(furan-2-yl)ethyl]-1-(2-pyridin-2-ylethyl)-3-(1,2,3,4-tetrahydronaphthalen-2-yl)guanidine;hydroiodide.

What is the SMILES notation for 2-[2-(furan-2-yl)ethyl]-1-(2-pyridin-2-ylethyl)-3-(1,2,3,4-tetrahydronaphthalen-2-yl)guanidine;hydroiodide?

The canonical SMILES for 2-[2-(furan-2-yl)ethyl]-1-(2-pyridin-2-ylethyl)-3-(1,2,3,4-tetrahydronaphthalen-2-yl)guanidine;hydroiodide is I.c1ccc(CCN/C(=N\CCc2ccco2)NC2CCc3ccccc3C2)nc1.

What is the InChIKey of 2-[2-(furan-2-yl)ethyl]-1-(2-pyridin-2-ylethyl)-3-(1,2,3,4-tetrahydronaphthalen-2-yl)guanidine;hydroiodide?

The InChIKey is CBLZFRBOFPNNFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O.HI/c1-2-7-20-18-22(11-10-19(20)6-1)28-24(27-16-13-23-9-5-17-29-23)26-15-12-21-8-3-4-14-25-21;/h1-9,14,17,22H,10-13,15-16,18H2,(H2,26,27,28);1H.

What are the key properties of 2-[2-(furan-2-yl)ethyl]-1-(2-pyridin-2-ylethyl)-3-(1,2,3,4-tetrahydronaphthalen-2-yl)guanidine;hydroiodide?

2-[2-(furan-2-yl)ethyl]-1-(2-pyridin-2-ylethyl)-3-(1,2,3,4-tetrahydronaphthalen-2-yl)guanidine;hydroiodide has a molecular weight of 516.43 g/mol, XLogP of 4.17, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(furan-2-yl)ethyl]-1-(2-pyridin-2-ylethyl)-3-(1,2,3,4-tetrahydronaphthalen-2-yl)guanidine;hydroiodide is sourced from PubChem (CID 111357385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).