(3,6-dichloro-2-pyridinyl)-[4-[1-[[2-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]piperidin-1-yl]methanone

C22H19Cl2F3N4O — CID 3586149

About (3,6-dichloro-2-pyridinyl)-[4-[1-[[2-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]piperidin-1-yl]methanone

(3,6-dichloro-2-pyridinyl)-[4-[1-[[2-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]piperidin-1-yl]methanone (PubChem CID 3586149) has the molecular formula C22H19Cl2F3N4O and a molecular weight of 483.32 g/mol. Its IUPAC name is (3,6-dichloro-2-pyridinyl)-[4-[1-[[2-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: (3,6-dichloro-2-pyridinyl)-[4-[1-[[2-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]piperidin-1-yl]methanone
• PubChem CID: 3586149
• Molecular Formula: C22H19Cl2F3N4O
• Molecular Weight: 483.32 g/mol
• Exact Mass: 482.09
• IUPAC Name: (3,6-dichloro-2-pyridinyl)-[4-[1-[[2-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]piperidin-1-yl]methanone
• SMILES: O=C(c1nc(Cl)ccc1Cl)N1CCC(c2nccn2Cc2ccccc2C(F)(F)F)CC1
• InChI: InChI=1S/C22H19Cl2F3N4O/c23-17-5-6-18(24)29-19(17)21(32)30-10-7-14(8-11-30)20-28-9-12-31(20)13-15-3-1-2-4-16(15)22(25,26)27/h1-6,9,12,14H,7-8,10-11,13H2
• InChIKey: YNSQFJZJSWUODV-UHFFFAOYSA-N
• XLogP: 5.67
• TPSA: 51.02 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	483.32
LogP ≤ 5	5.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (3,6-dichloro-2-pyridinyl)-[4-[1-[[2-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]piperidin-1-yl]methanone?

The IUPAC name of (3,6-dichloro-2-pyridinyl)-[4-[1-[[2-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]piperidin-1-yl]methanone (CID 3586149) is (3,6-dichloro-2-pyridinyl)-[4-[1-[[2-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]piperidin-1-yl]methanone.

What is the SMILES notation for (3,6-dichloro-2-pyridinyl)-[4-[1-[[2-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]piperidin-1-yl]methanone?

The canonical SMILES for (3,6-dichloro-2-pyridinyl)-[4-[1-[[2-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]piperidin-1-yl]methanone is O=C(c1nc(Cl)ccc1Cl)N1CCC(c2nccn2Cc2ccccc2C(F)(F)F)CC1.

What is the InChIKey of (3,6-dichloro-2-pyridinyl)-[4-[1-[[2-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]piperidin-1-yl]methanone?

The InChIKey is YNSQFJZJSWUODV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19Cl2F3N4O/c23-17-5-6-18(24)29-19(17)21(32)30-10-7-14(8-11-30)20-28-9-12-31(20)13-15-3-1-2-4-16(15)22(25,26)27/h1-6,9,12,14H,7-8,10-11,13H2.

What are the key properties of (3,6-dichloro-2-pyridinyl)-[4-[1-[[2-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]piperidin-1-yl]methanone?

(3,6-dichloro-2-pyridinyl)-[4-[1-[[2-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]piperidin-1-yl]methanone has a molecular weight of 483.32 g/mol, XLogP of 5.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (3,6-dichloro-2-pyridinyl)-[4-[1-[[2-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 3586149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).