tert-butyl 5-(4-fluorophenyl)-2-(4-phenoxyphenyl)-4-pyridin-4-ylimidazole-1-carboxylate

C31H26FN3O3 — CID 15435340

IUPACtert-butyl 5-(4-fluorophenyl)-2-(4-phenoxyphenyl)-4-pyridin-4-ylimidazole-1-carboxylate
SMILESCC(C)(C)OC(=O)n1c(-c2ccc(Oc3ccccc3)cc2)nc(-c2ccncc2)c1-c1ccc(F)cc1
InChIInChI=1S/C31H26FN3O3/c1-31(2,3)38-30(36)35-28(22-9-13-24(32)14-10-22)27(21-17-19-33-20-18-21)34-29(35)23-11-15-26(16-12-23)37-25-7-5-4-6-8-25/h4-20H,1-3H3
InChIKeyOZWJDIRKMUGEJF-UHFFFAOYSA-N
MW507.57 g/mol
LogP7.99
Rot. Bonds5

About tert-butyl 5-(4-fluorophenyl)-2-(4-phenoxyphenyl)-4-pyridin-4-ylimidazole-1-carboxylate

tert-butyl 5-(4-fluorophenyl)-2-(4-phenoxyphenyl)-4-pyridin-4-ylimidazole-1-carboxylate (PubChem CID 15435340) has the molecular formula C31H26FN3O3 and a molecular weight of 507.57 g/mol. Its IUPAC name is tert-butyl 5-(4-fluorophenyl)-2-(4-phenoxyphenyl)-4-pyridin-4-ylimidazole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 5-(4-fluorophenyl)-2-(4-phenoxyphenyl)-4-pyridin-4-ylimidazole-1-carboxylate
PubChem CID15435340
Molecular FormulaC31H26FN3O3
Molecular Weight507.57 g/mol
Exact Mass507.20
IUPAC Nametert-butyl 5-(4-fluorophenyl)-2-(4-phenoxyphenyl)-4-pyridin-4-ylimidazole-1-carboxylate
SMILESCC(C)(C)OC(=O)n1c(-c2ccc(Oc3ccccc3)cc2)nc(-c2ccncc2)c1-c1ccc(F)cc1
InChIInChI=1S/C31H26FN3O3/c1-31(2,3)38-30(36)35-28(22-9-13-24(32)14-10-22)27(21-17-19-33-20-18-21)34-29(35)23-11-15-26(16-12-23)37-25-7-5-4-6-8-25/h4-20H,1-3H3
InChIKeyOZWJDIRKMUGEJF-UHFFFAOYSA-N
XLogP7.99
TPSA66.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.57
LogP ≤ 57.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze tert-butyl 5-(4-fluorophenyl)-2-(4-phenoxyphenyl)-4-pyridin-4-ylimidazole-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-(4-fluorophenyl)-2-(4-phenoxyphenyl)-4-pyridin-4-ylimidazole-1-carboxylate?
The IUPAC name of tert-butyl 5-(4-fluorophenyl)-2-(4-phenoxyphenyl)-4-pyridin-4-ylimidazole-1-carboxylate (CID 15435340) is tert-butyl 5-(4-fluorophenyl)-2-(4-phenoxyphenyl)-4-pyridin-4-ylimidazole-1-carboxylate.
What is the SMILES notation for tert-butyl 5-(4-fluorophenyl)-2-(4-phenoxyphenyl)-4-pyridin-4-ylimidazole-1-carboxylate?
The canonical SMILES for tert-butyl 5-(4-fluorophenyl)-2-(4-phenoxyphenyl)-4-pyridin-4-ylimidazole-1-carboxylate is CC(C)(C)OC(=O)n1c(-c2ccc(Oc3ccccc3)cc2)nc(-c2ccncc2)c1-c1ccc(F)cc1.
What is the InChIKey of tert-butyl 5-(4-fluorophenyl)-2-(4-phenoxyphenyl)-4-pyridin-4-ylimidazole-1-carboxylate?
The InChIKey is OZWJDIRKMUGEJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26FN3O3/c1-31(2,3)38-30(36)35-28(22-9-13-24(32)14-10-22)27(21-17-19-33-20-18-21)34-29(35)23-11-15-26(16-12-23)37-25-7-5-4-6-8-25/h4-20H,1-3H3.
What are the key properties of tert-butyl 5-(4-fluorophenyl)-2-(4-phenoxyphenyl)-4-pyridin-4-ylimidazole-1-carboxylate?
tert-butyl 5-(4-fluorophenyl)-2-(4-phenoxyphenyl)-4-pyridin-4-ylimidazole-1-carboxylate has a molecular weight of 507.57 g/mol, XLogP of 7.99, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-(4-fluorophenyl)-2-(4-phenoxyphenyl)-4-pyridin-4-ylimidazole-1-carboxylate is sourced from PubChem (CID 15435340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).