2-bromo-4-[3-[(2,4-dimethoxyphenyl)methyl]-5-(4-fluorophenyl)imidazol-4-yl]pyridine;2-bromo-4-[5-(4-fluorophenyl)-1H-imidazol-4-yl]pyridine;2-bromo-4-[5-(4-fluorophenyl)-1-methylimidazol-4-yl]pyridine;4-[5-(4-fluorophenyl)-1-methylimidazol-4-yl]pyridin-2-amine;[4-[5-(4-fluorophenyl)-1-methylimidazol-4-yl]-2-pyridinyl]urea;2,2,2-trifluoroacetic acid

C85H67Br3F8N18O5 — CID 157279828

About 2-bromo-4-[3-[(2,4-dimethoxyphenyl)methyl]-5-(4-fluorophenyl)imidazol-4-yl]pyridine;2-bromo-4-[5-(4-fluorophenyl)-1H-imidazol-4-yl]pyridine;2-bromo-4-[5-(4-fluorophenyl)-1-methylimidazol-4-yl]pyridine;4-[5-(4-fluorophenyl)-1-methylimidazol-4-yl]pyridin-2-amine;[4-[5-(4-fluorophenyl)-1-methylimidazol-4-yl]-2-pyridinyl]urea;2,2,2-trifluoroacetic acid

2-bromo-4-[3-[(2,4-dimethoxyphenyl)methyl]-5-(4-fluorophenyl)imidazol-4-yl]pyridine;2-bromo-4-[5-(4-fluorophenyl)-1H-imidazol-4-yl]pyridine;2-bromo-4-[5-(4-fluorophenyl)-1-methylimidazol-4-yl]pyridine;4-[5-(4-fluorophenyl)-1-methylimidazol-4-yl]pyridin-2-amine;[4-[5-(4-fluorophenyl)-1-methylimidazol-4-yl]-2-pyridinyl]urea;2,2,2-trifluoroacetic acid (PubChem CID 157279828) has the molecular formula C85H67Br3F8N18O5 and a molecular weight of 1812.29 g/mol. Its IUPAC name is 2-bromo-4-[3-[(2,4-dimethoxyphenyl)methyl]-5-(4-fluorophenyl)imidazol-4-yl]pyridine;2-bromo-4-[5-(4-fluorophenyl)-1H-imidazol-4-yl]pyridine;2-bromo-4-[5-(4-fluorophenyl)-1-methylimidazol-4-yl]pyridine;4-[5-(4-fluorophenyl)-1-methylimidazol-4-yl]pyridin-2-amine;[4-[5-(4-fluorophenyl)-1-methylimidazol-4-yl]-2-pyridinyl]urea;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: 2-bromo-4-[3-[(2,4-dimethoxyphenyl)methyl]-5-(4-fluorophenyl)imidazol-4-yl]pyridine;2-bromo-4-[5-(4-fluorophenyl)-1H-imidazol-4-yl]pyridine;2-bromo-4-[5-(4-fluorophenyl)-1-methylimidazol-4-yl]pyridine;4-[5-(4-fluorophenyl)-1-methylimidazol-4-yl]pyridin-2-amine;[4-[5-(4-fluorophenyl)-1-methylimidazol-4-yl]-2-pyridinyl]urea;2,2,2-trifluoroacetic acid
• PubChem CID: 157279828
• Molecular Formula: C85H67Br3F8N18O5
• Molecular Weight: 1812.29 g/mol
• Exact Mass: 1808.30
• IUPAC Name: 2-bromo-4-[3-[(2,4-dimethoxyphenyl)methyl]-5-(4-fluorophenyl)imidazol-4-yl]pyridine;2-bromo-4-[5-(4-fluorophenyl)-1H-imidazol-4-yl]pyridine;2-bromo-4-[5-(4-fluorophenyl)-1-methylimidazol-4-yl]pyridine;4-[5-(4-fluorophenyl)-1-methylimidazol-4-yl]pyridin-2-amine;[4-[5-(4-fluorophenyl)-1-methylimidazol-4-yl]-2-pyridinyl]urea;2,2,2-trifluoroacetic acid
• SMILES: COc1ccc(Cn2cnc(-c3ccc(F)cc3)c2-c2ccnc(Br)c2)c(OC)c1.Cn1cnc(-c2ccnc(Br)c2)c1-c1ccc(F)cc1.Cn1cnc(-c2ccnc(N)c2)c1-c1ccc(F)cc1.Cn1cnc(-c2ccnc(NC(N)=O)c2)c1-c1ccc(F)cc1.Fc1ccc(-c2[nH]cnc2-c2ccnc(Br)c2)cc1.O=C(O)C(F)(F)F
• InChI: InChI=1S/C23H19BrFN3O2.C16H14FN5O.C15H11BrFN3.C15H13FN4.C14H9BrFN3.C2HF3O2/c1-29-19-8-5-17(20(12-19)30-2)13-28-14-27-22(15-3-6-18(25)7-4-15)23(28)16-9-10-26-21(24)11-16;1-22-9-20-14(15(22)10-2-4-12(17)5-3-10)11-6-7-19-13(8-11)21-16(18)23;1-20-9-19-14(11-6-7-18-13(16)8-11)15(20)10-2-4-12(17)5-3-10;1-20-9-19-14(11-6-7-18-13(17)8-11)15(20)10-2-4-12(16)5-3-10;15-12-7-10(5-6-17-12)14-13(18-8-19-14)9-1-3-11(16)4-2-9;3-2(4,5)1(6)7/h3-12,14H,13H2,1-2H3;2-9H,1H3,(H3,18,19,21,23);2-9H,1H3;2-9H,1H3,(H2,17,18);1-8H,(H,18,19);(H,6,7)
• InChIKey: CUEFUXVKGGTWJE-UHFFFAOYSA-N
• XLogP: 19.95
• TPSA: 301.31 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 19
• Rotatable Bonds: 15
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1812.29
LogP ≤ 5	19.95
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[3-[(2,4-dimethoxyphenyl)methyl]-5-(4-fluorophenyl)imidazol-4-yl]pyridine;2-bromo-4-[5-(4-fluorophenyl)-1H-imidazol-4-yl]pyridine;2-bromo-4-[5-(4-fluorophenyl)-1-methylimidazol-4-yl]pyridine;4-[5-(4-fluorophenyl)-1-methylimidazol-4-yl]pyridin-2-amine;[4-[5-(4-fluorophenyl)-1-methylimidazol-4-yl]-2-pyridinyl]urea;2,2,2-trifluoroacetic acid?

The IUPAC name of 2-bromo-4-[3-[(2,4-dimethoxyphenyl)methyl]-5-(4-fluorophenyl)imidazol-4-yl]pyridine;2-bromo-4-[5-(4-fluorophenyl)-1H-imidazol-4-yl]pyridine;2-bromo-4-[5-(4-fluorophenyl)-1-methylimidazol-4-yl]pyridine;4-[5-(4-fluorophenyl)-1-methylimidazol-4-yl]pyridin-2-amine;[4-[5-(4-fluorophenyl)-1-methylimidazol-4-yl]-2-pyridinyl]urea;2,2,2-trifluoroacetic acid (CID 157279828) is 2-bromo-4-[3-[(2,4-dimethoxyphenyl)methyl]-5-(4-fluorophenyl)imidazol-4-yl]pyridine;2-bromo-4-[5-(4-fluorophenyl)-1H-imidazol-4-yl]pyridine;2-bromo-4-[5-(4-fluorophenyl)-1-methylimidazol-4-yl]pyridine;4-[5-(4-fluorophenyl)-1-methylimidazol-4-yl]pyridin-2-amine;[4-[5-(4-fluorophenyl)-1-methylimidazol-4-yl]-2-pyridinyl]urea;2,2,2-trifluoroacetic acid.

What is the SMILES notation for 2-bromo-4-[3-[(2,4-dimethoxyphenyl)methyl]-5-(4-fluorophenyl)imidazol-4-yl]pyridine;2-bromo-4-[5-(4-fluorophenyl)-1H-imidazol-4-yl]pyridine;2-bromo-4-[5-(4-fluorophenyl)-1-methylimidazol-4-yl]pyridine;4-[5-(4-fluorophenyl)-1-methylimidazol-4-yl]pyridin-2-amine;[4-[5-(4-fluorophenyl)-1-methylimidazol-4-yl]-2-pyridinyl]urea;2,2,2-trifluoroacetic acid?

The canonical SMILES for 2-bromo-4-[3-[(2,4-dimethoxyphenyl)methyl]-5-(4-fluorophenyl)imidazol-4-yl]pyridine;2-bromo-4-[5-(4-fluorophenyl)-1H-imidazol-4-yl]pyridine;2-bromo-4-[5-(4-fluorophenyl)-1-methylimidazol-4-yl]pyridine;4-[5-(4-fluorophenyl)-1-methylimidazol-4-yl]pyridin-2-amine;[4-[5-(4-fluorophenyl)-1-methylimidazol-4-yl]-2-pyridinyl]urea;2,2,2-trifluoroacetic acid is COc1ccc(Cn2cnc(-c3ccc(F)cc3)c2-c2ccnc(Br)c2)c(OC)c1.Cn1cnc(-c2ccnc(Br)c2)c1-c1ccc(F)cc1.Cn1cnc(-c2ccnc(N)c2)c1-c1ccc(F)cc1.Cn1cnc(-c2ccnc(NC(N)=O)c2)c1-c1ccc(F)cc1.Fc1ccc(-c2[nH]cnc2-c2ccnc(Br)c2)cc1.O=C(O)C(F)(F)F.

What is the InChIKey of 2-bromo-4-[3-[(2,4-dimethoxyphenyl)methyl]-5-(4-fluorophenyl)imidazol-4-yl]pyridine;2-bromo-4-[5-(4-fluorophenyl)-1H-imidazol-4-yl]pyridine;2-bromo-4-[5-(4-fluorophenyl)-1-methylimidazol-4-yl]pyridine;4-[5-(4-fluorophenyl)-1-methylimidazol-4-yl]pyridin-2-amine;[4-[5-(4-fluorophenyl)-1-methylimidazol-4-yl]-2-pyridinyl]urea;2,2,2-trifluoroacetic acid?

The InChIKey is CUEFUXVKGGTWJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19BrFN3O2.C16H14FN5O.C15H11BrFN3.C15H13FN4.C14H9BrFN3.C2HF3O2/c1-29-19-8-5-17(20(12-19)30-2)13-28-14-27-22(15-3-6-18(25)7-4-15)23(28)16-9-10-26-21(24)11-16;1-22-9-20-14(15(22)10-2-4-12(17)5-3-10)11-6-7-19-13(8-11)21-16(18)23;1-20-9-19-14(11-6-7-18-13(16)8-11)15(20)10-2-4-12(17)5-3-10;1-20-9-19-14(11-6-7-18-13(17)8-11)15(20)10-2-4-12(16)5-3-10;15-12-7-10(5-6-17-12)14-13(18-8-19-14)9-1-3-11(16)4-2-9;3-2(4,5)1(6)7/h3-12,14H,13H2,1-2H3;2-9H,1H3,(H3,18,19,21,23);2-9H,1H3;2-9H,1H3,(H2,17,18);1-8H,(H,18,19);(H,6,7).

What are the key properties of 2-bromo-4-[3-[(2,4-dimethoxyphenyl)methyl]-5-(4-fluorophenyl)imidazol-4-yl]pyridine;2-bromo-4-[5-(4-fluorophenyl)-1H-imidazol-4-yl]pyridine;2-bromo-4-[5-(4-fluorophenyl)-1-methylimidazol-4-yl]pyridine;4-[5-(4-fluorophenyl)-1-methylimidazol-4-yl]pyridin-2-amine;[4-[5-(4-fluorophenyl)-1-methylimidazol-4-yl]-2-pyridinyl]urea;2,2,2-trifluoroacetic acid?

2-bromo-4-[3-[(2,4-dimethoxyphenyl)methyl]-5-(4-fluorophenyl)imidazol-4-yl]pyridine;2-bromo-4-[5-(4-fluorophenyl)-1H-imidazol-4-yl]pyridine;2-bromo-4-[5-(4-fluorophenyl)-1-methylimidazol-4-yl]pyridine;4-[5-(4-fluorophenyl)-1-methylimidazol-4-yl]pyridin-2-amine;[4-[5-(4-fluorophenyl)-1-methylimidazol-4-yl]-2-pyridinyl]urea;2,2,2-trifluoroacetic acid has a molecular weight of 1812.29 g/mol, XLogP of 19.95, 15 rotatable bonds, 5 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-4-[3-[(2,4-dimethoxyphenyl)methyl]-5-(4-fluorophenyl)imidazol-4-yl]pyridine;2-bromo-4-[5-(4-fluorophenyl)-1H-imidazol-4-yl]pyridine;2-bromo-4-[5-(4-fluorophenyl)-1-methylimidazol-4-yl]pyridine;4-[5-(4-fluorophenyl)-1-methylimidazol-4-yl]pyridin-2-amine;[4-[5-(4-fluorophenyl)-1-methylimidazol-4-yl]-2-pyridinyl]urea;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 157279828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).