5-[1-[5-(1-bicyclo[1.1.1]pentanyl)pentyl]-2-propan-2-ylimidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine

C22H29F3N4 — CID 135349817

About 5-[1-[5-(1-bicyclo[1.1.1]pentanyl)pentyl]-2-propan-2-ylimidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine

5-[1-[5-(1-bicyclo[1.1.1]pentanyl)pentyl]-2-propan-2-ylimidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine (PubChem CID 135349817) has the molecular formula C22H29F3N4 and a molecular weight of 406.50 g/mol. Its IUPAC name is 5-[1-[5-(1-bicyclo[1.1.1]pentanyl)pentyl]-2-propan-2-ylimidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

• Compound Name: 5-[1-[5-(1-bicyclo[1.1.1]pentanyl)pentyl]-2-propan-2-ylimidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine
• PubChem CID: 135349817
• Molecular Formula: C22H29F3N4
• Molecular Weight: 406.50 g/mol
• Exact Mass: 406.23
• IUPAC Name: 5-[1-[5-(1-bicyclo[1.1.1]pentanyl)pentyl]-2-propan-2-ylimidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine
• SMILES: CC(C)c1nc(-c2cnc(N)c(C(F)(F)F)c2)cn1CCCCCC12CC(C1)C2
• InChI: InChI=1S/C22H29F3N4/c1-14(2)20-28-18(16-8-17(22(23,24)25)19(26)27-12-16)13-29(20)7-5-3-4-6-21-9-15(10-21)11-21/h8,12-15H,3-7,9-11H2,1-2H3,(H2,26,27)
• InChIKey: VDZWCRVWOPGBGF-UHFFFAOYSA-N
• XLogP: 6.03
• TPSA: 56.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	406.50
LogP ≤ 5	6.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[1-[5-(1-bicyclo[1.1.1]pentanyl)pentyl]-2-propan-2-ylimidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine?

The IUPAC name of 5-[1-[5-(1-bicyclo[1.1.1]pentanyl)pentyl]-2-propan-2-ylimidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine (CID 135349817) is 5-[1-[5-(1-bicyclo[1.1.1]pentanyl)pentyl]-2-propan-2-ylimidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine.

What is the SMILES notation for 5-[1-[5-(1-bicyclo[1.1.1]pentanyl)pentyl]-2-propan-2-ylimidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine?

The canonical SMILES for 5-[1-[5-(1-bicyclo[1.1.1]pentanyl)pentyl]-2-propan-2-ylimidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine is CC(C)c1nc(-c2cnc(N)c(C(F)(F)F)c2)cn1CCCCCC12CC(C1)C2.

What is the InChIKey of 5-[1-[5-(1-bicyclo[1.1.1]pentanyl)pentyl]-2-propan-2-ylimidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine?

The InChIKey is VDZWCRVWOPGBGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29F3N4/c1-14(2)20-28-18(16-8-17(22(23,24)25)19(26)27-12-16)13-29(20)7-5-3-4-6-21-9-15(10-21)11-21/h8,12-15H,3-7,9-11H2,1-2H3,(H2,26,27).

What are the key properties of 5-[1-[5-(1-bicyclo[1.1.1]pentanyl)pentyl]-2-propan-2-ylimidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine?

5-[1-[5-(1-bicyclo[1.1.1]pentanyl)pentyl]-2-propan-2-ylimidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine has a molecular weight of 406.50 g/mol, XLogP of 6.03, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[1-[5-(1-bicyclo[1.1.1]pentanyl)pentyl]-2-propan-2-ylimidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 135349817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).