2-chloro-5-[5-chloro-1-(cyclopropylmethyl)-4-[2-methoxy-4-[[5-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]imidazol-2-yl]pyridine

C26H21Cl2F3N4O2 — CID 129304167

About 2-chloro-5-[5-chloro-1-(cyclopropylmethyl)-4-[2-methoxy-4-[[5-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]imidazol-2-yl]pyridine

2-chloro-5-[5-chloro-1-(cyclopropylmethyl)-4-[2-methoxy-4-[[5-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]imidazol-2-yl]pyridine (PubChem CID 129304167) has the molecular formula C26H21Cl2F3N4O2 and a molecular weight of 549.38 g/mol. Its IUPAC name is 2-chloro-5-[5-chloro-1-(cyclopropylmethyl)-4-[2-methoxy-4-[[5-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]imidazol-2-yl]pyridine.

Molecular Properties

• Compound Name: 2-chloro-5-[5-chloro-1-(cyclopropylmethyl)-4-[2-methoxy-4-[[5-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]imidazol-2-yl]pyridine
• PubChem CID: 129304167
• Molecular Formula: C26H21Cl2F3N4O2
• Molecular Weight: 549.38 g/mol
• Exact Mass: 548.10
• IUPAC Name: 2-chloro-5-[5-chloro-1-(cyclopropylmethyl)-4-[2-methoxy-4-[[5-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]imidazol-2-yl]pyridine
• SMILES: COc1cc(OCc2ccc(C(F)(F)F)cn2)ccc1-c1nc(-c2ccc(Cl)nc2)n(CC2CC2)c1Cl
• InChI: InChI=1S/C26H21Cl2F3N4O2/c1-36-21-10-19(37-14-18-6-5-17(12-32-18)26(29,30)31)7-8-20(21)23-24(28)35(13-15-2-3-15)25(34-23)16-4-9-22(27)33-11-16/h4-12,15H,2-3,13-14H2,1H3
• InChIKey: NHBYUELLWLKRBW-UHFFFAOYSA-N
• XLogP: 7.33
• TPSA: 62.06 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	549.38
LogP ≤ 5	7.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[5-chloro-1-(cyclopropylmethyl)-4-[2-methoxy-4-[[5-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]imidazol-2-yl]pyridine?

The IUPAC name of 2-chloro-5-[5-chloro-1-(cyclopropylmethyl)-4-[2-methoxy-4-[[5-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]imidazol-2-yl]pyridine (CID 129304167) is 2-chloro-5-[5-chloro-1-(cyclopropylmethyl)-4-[2-methoxy-4-[[5-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]imidazol-2-yl]pyridine.

What is the SMILES notation for 2-chloro-5-[5-chloro-1-(cyclopropylmethyl)-4-[2-methoxy-4-[[5-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]imidazol-2-yl]pyridine?

The canonical SMILES for 2-chloro-5-[5-chloro-1-(cyclopropylmethyl)-4-[2-methoxy-4-[[5-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]imidazol-2-yl]pyridine is COc1cc(OCc2ccc(C(F)(F)F)cn2)ccc1-c1nc(-c2ccc(Cl)nc2)n(CC2CC2)c1Cl.

What is the InChIKey of 2-chloro-5-[5-chloro-1-(cyclopropylmethyl)-4-[2-methoxy-4-[[5-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]imidazol-2-yl]pyridine?

The InChIKey is NHBYUELLWLKRBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21Cl2F3N4O2/c1-36-21-10-19(37-14-18-6-5-17(12-32-18)26(29,30)31)7-8-20(21)23-24(28)35(13-15-2-3-15)25(34-23)16-4-9-22(27)33-11-16/h4-12,15H,2-3,13-14H2,1H3.

What are the key properties of 2-chloro-5-[5-chloro-1-(cyclopropylmethyl)-4-[2-methoxy-4-[[5-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]imidazol-2-yl]pyridine?

2-chloro-5-[5-chloro-1-(cyclopropylmethyl)-4-[2-methoxy-4-[[5-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]imidazol-2-yl]pyridine has a molecular weight of 549.38 g/mol, XLogP of 7.33, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-5-[5-chloro-1-(cyclopropylmethyl)-4-[2-methoxy-4-[[5-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]imidazol-2-yl]pyridine is sourced from PubChem (CID 129304167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).