5-[5-chloro-4-[2-methoxy-4-[(1S)-1-[4-(trifluoromethyl)phenyl]ethoxy]phenyl]-1H-imidazol-2-yl]-2-fluoropyridine

C24H18ClF4N3O2 — CID 146407334

About 5-[5-chloro-4-[2-methoxy-4-[(1S)-1-[4-(trifluoromethyl)phenyl]ethoxy]phenyl]-1H-imidazol-2-yl]-2-fluoropyridine

5-[5-chloro-4-[2-methoxy-4-[(1S)-1-[4-(trifluoromethyl)phenyl]ethoxy]phenyl]-1H-imidazol-2-yl]-2-fluoropyridine (PubChem CID 146407334) has the molecular formula C24H18ClF4N3O2 and a molecular weight of 491.87 g/mol. Its IUPAC name is 5-[5-chloro-4-[2-methoxy-4-[(1S)-1-[4-(trifluoromethyl)phenyl]ethoxy]phenyl]-1H-imidazol-2-yl]-2-fluoropyridine.

Molecular Properties

• Compound Name: 5-[5-chloro-4-[2-methoxy-4-[(1S)-1-[4-(trifluoromethyl)phenyl]ethoxy]phenyl]-1H-imidazol-2-yl]-2-fluoropyridine
• PubChem CID: 146407334
• Molecular Formula: C24H18ClF4N3O2
• Molecular Weight: 491.87 g/mol
• Exact Mass: 491.10
• IUPAC Name: 5-[5-chloro-4-[2-methoxy-4-[(1S)-1-[4-(trifluoromethyl)phenyl]ethoxy]phenyl]-1H-imidazol-2-yl]-2-fluoropyridine
• SMILES: COc1cc(O[C@@H](C)c2ccc(C(F)(F)F)cc2)ccc1-c1nc(-c2ccc(F)nc2)[nH]c1Cl
• InChI: InChI=1S/C24H18ClF4N3O2/c1-13(14-3-6-16(7-4-14)24(27,28)29)34-17-8-9-18(19(11-17)33-2)21-22(25)32-23(31-21)15-5-10-20(26)30-12-15/h3-13H,1-2H3,(H,31,32)/t13-/m0/s1
• InChIKey: VXFZTESUERIPOP-ZDUSSCGKSA-N
• XLogP: 7.10
• TPSA: 60.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	491.87
LogP ≤ 5	7.10
H-Bond Donors ≤ 5	1
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 5-[5-chloro-4-[2-methoxy-4-[(1S)-1-[4-(trifluoromethyl)phenyl]ethoxy]phenyl]-1H-imidazol-2-yl]-2-fluoropyridine?

The IUPAC name of 5-[5-chloro-4-[2-methoxy-4-[(1S)-1-[4-(trifluoromethyl)phenyl]ethoxy]phenyl]-1H-imidazol-2-yl]-2-fluoropyridine (CID 146407334) is 5-[5-chloro-4-[2-methoxy-4-[(1S)-1-[4-(trifluoromethyl)phenyl]ethoxy]phenyl]-1H-imidazol-2-yl]-2-fluoropyridine.

What is the SMILES notation for 5-[5-chloro-4-[2-methoxy-4-[(1S)-1-[4-(trifluoromethyl)phenyl]ethoxy]phenyl]-1H-imidazol-2-yl]-2-fluoropyridine?

The canonical SMILES for 5-[5-chloro-4-[2-methoxy-4-[(1S)-1-[4-(trifluoromethyl)phenyl]ethoxy]phenyl]-1H-imidazol-2-yl]-2-fluoropyridine is COc1cc(O[C@@H](C)c2ccc(C(F)(F)F)cc2)ccc1-c1nc(-c2ccc(F)nc2)[nH]c1Cl.

What is the InChIKey of 5-[5-chloro-4-[2-methoxy-4-[(1S)-1-[4-(trifluoromethyl)phenyl]ethoxy]phenyl]-1H-imidazol-2-yl]-2-fluoropyridine?

The InChIKey is VXFZTESUERIPOP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C24H18ClF4N3O2/c1-13(14-3-6-16(7-4-14)24(27,28)29)34-17-8-9-18(19(11-17)33-2)21-22(25)32-23(31-21)15-5-10-20(26)30-12-15/h3-13H,1-2H3,(H,31,32)/t13-/m0/s1.

What are the key properties of 5-[5-chloro-4-[2-methoxy-4-[(1S)-1-[4-(trifluoromethyl)phenyl]ethoxy]phenyl]-1H-imidazol-2-yl]-2-fluoropyridine?

5-[5-chloro-4-[2-methoxy-4-[(1S)-1-[4-(trifluoromethyl)phenyl]ethoxy]phenyl]-1H-imidazol-2-yl]-2-fluoropyridine has a molecular weight of 491.87 g/mol, XLogP of 7.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-chloro-4-[2-methoxy-4-[(1S)-1-[4-(trifluoromethyl)phenyl]ethoxy]phenyl]-1H-imidazol-2-yl]-2-fluoropyridine is sourced from PubChem (CID 146407334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).