4-[2-(4-chlorophenyl)-5-(2-phenoxyphenyl)-1H-imidazol-4-yl]pyridine

C26H18ClN3O — CID 10093802

IUPAC4-[2-(4-chlorophenyl)-5-(2-phenoxyphenyl)-1H-imidazol-4-yl]pyridine
SMILESClc1ccc(-c2nc(-c3ccncc3)c(-c3ccccc3Oc3ccccc3)[nH]2)cc1
InChIInChI=1S/C26H18ClN3O/c27-20-12-10-19(11-13-20)26-29-24(18-14-16-28-17-15-18)25(30-26)22-8-4-5-9-23(22)31-21-6-2-1-3-7-21/h1-17H,(H,29,30)
InChIKeyCOXXCKLSWHHFDS-UHFFFAOYSA-N
MW423.90 g/mol
LogP7.25
Rot. Bonds5

About 4-[2-(4-chlorophenyl)-5-(2-phenoxyphenyl)-1H-imidazol-4-yl]pyridine

4-[2-(4-chlorophenyl)-5-(2-phenoxyphenyl)-1H-imidazol-4-yl]pyridine (PubChem CID 10093802) has the molecular formula C26H18ClN3O and a molecular weight of 423.90 g/mol. Its IUPAC name is 4-[2-(4-chlorophenyl)-5-(2-phenoxyphenyl)-1H-imidazol-4-yl]pyridine.

Molecular Properties

Compound Name4-[2-(4-chlorophenyl)-5-(2-phenoxyphenyl)-1H-imidazol-4-yl]pyridine
PubChem CID10093802
Molecular FormulaC26H18ClN3O
Molecular Weight423.90 g/mol
Exact Mass423.11
IUPAC Name4-[2-(4-chlorophenyl)-5-(2-phenoxyphenyl)-1H-imidazol-4-yl]pyridine
SMILESClc1ccc(-c2nc(-c3ccncc3)c(-c3ccccc3Oc3ccccc3)[nH]2)cc1
InChIInChI=1S/C26H18ClN3O/c27-20-12-10-19(11-13-20)26-29-24(18-14-16-28-17-15-18)25(30-26)22-8-4-5-9-23(22)31-21-6-2-1-3-7-21/h1-17H,(H,29,30)
InChIKeyCOXXCKLSWHHFDS-UHFFFAOYSA-N
XLogP7.25
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.90
LogP ≤ 57.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-chlorophenyl)-5-(2-phenoxyphenyl)-1H-imidazol-4-yl]pyridine?
The IUPAC name of 4-[2-(4-chlorophenyl)-5-(2-phenoxyphenyl)-1H-imidazol-4-yl]pyridine (CID 10093802) is 4-[2-(4-chlorophenyl)-5-(2-phenoxyphenyl)-1H-imidazol-4-yl]pyridine.
What is the SMILES notation for 4-[2-(4-chlorophenyl)-5-(2-phenoxyphenyl)-1H-imidazol-4-yl]pyridine?
The canonical SMILES for 4-[2-(4-chlorophenyl)-5-(2-phenoxyphenyl)-1H-imidazol-4-yl]pyridine is Clc1ccc(-c2nc(-c3ccncc3)c(-c3ccccc3Oc3ccccc3)[nH]2)cc1.
What is the InChIKey of 4-[2-(4-chlorophenyl)-5-(2-phenoxyphenyl)-1H-imidazol-4-yl]pyridine?
The InChIKey is COXXCKLSWHHFDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18ClN3O/c27-20-12-10-19(11-13-20)26-29-24(18-14-16-28-17-15-18)25(30-26)22-8-4-5-9-23(22)31-21-6-2-1-3-7-21/h1-17H,(H,29,30).
What are the key properties of 4-[2-(4-chlorophenyl)-5-(2-phenoxyphenyl)-1H-imidazol-4-yl]pyridine?
4-[2-(4-chlorophenyl)-5-(2-phenoxyphenyl)-1H-imidazol-4-yl]pyridine has a molecular weight of 423.90 g/mol, XLogP of 7.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-chlorophenyl)-5-(2-phenoxyphenyl)-1H-imidazol-4-yl]pyridine is sourced from PubChem (CID 10093802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).