1-(2,2-dimethylcyclohexyl)-5-pyrrolidin-2-ylimidazole

C₁₅H₂₅N₃ — CID 114706666

About 1-(2,2-dimethylcyclohexyl)-5-pyrrolidin-2-ylimidazole

1-(2,2-dimethylcyclohexyl)-5-pyrrolidin-2-ylimidazole (PubChem CID 114706666) has the molecular formula C₁₅H₂₅N₃ and a molecular weight of 247.39 g/mol. Its IUPAC name is 1-(2,2-dimethylcyclohexyl)-5-pyrrolidin-2-ylimidazole.

Molecular Properties

• Compound Name: 1-(2,2-dimethylcyclohexyl)-5-pyrrolidin-2-ylimidazole
• PubChem CID: 114706666
• Molecular Formula: C₁₅H₂₅N₃
• Molecular Weight: 247.39 g/mol
• Exact Mass: 247.20
• IUPAC Name: 1-(2,2-dimethylcyclohexyl)-5-pyrrolidin-2-ylimidazole
• SMILES: CC1(C)CCCCC1n1cncc1C1CCCN1
• InChI: InChI=1S/C15H25N3/c1-15(2)8-4-3-7-14(15)18-11-16-10-13(18)12-6-5-9-17-12/h10-12,14,17H,3-9H2,1-2H3
• InChIKey: NYBPZQJRZYNJKK-UHFFFAOYSA-N
• XLogP: 3.45
• TPSA: 29.85 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	247.39
LogP ≤ 5	3.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylcyclohexyl)-5-pyrrolidin-2-ylimidazole?

The IUPAC name of 1-(2,2-dimethylcyclohexyl)-5-pyrrolidin-2-ylimidazole (CID 114706666) is 1-(2,2-dimethylcyclohexyl)-5-pyrrolidin-2-ylimidazole.

What is the SMILES notation for 1-(2,2-dimethylcyclohexyl)-5-pyrrolidin-2-ylimidazole?

The canonical SMILES for 1-(2,2-dimethylcyclohexyl)-5-pyrrolidin-2-ylimidazole is CC1(C)CCCCC1n1cncc1C1CCCN1.

What is the InChIKey of 1-(2,2-dimethylcyclohexyl)-5-pyrrolidin-2-ylimidazole?

The InChIKey is NYBPZQJRZYNJKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-15(2)8-4-3-7-14(15)18-11-16-10-13(18)12-6-5-9-17-12/h10-12,14,17H,3-9H2,1-2H3.

What are the key properties of 1-(2,2-dimethylcyclohexyl)-5-pyrrolidin-2-ylimidazole?

1-(2,2-dimethylcyclohexyl)-5-pyrrolidin-2-ylimidazole has a molecular weight of 247.39 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,2-dimethylcyclohexyl)-5-pyrrolidin-2-ylimidazole is sourced from PubChem (CID 114706666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 114706666 — identifiers, structure, computed properties (public domain)

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