4-[4-(4-chlorophenyl)-2-(3,4-dimethoxyphenyl)-1H-imidazol-5-yl]pyridine

C22H18ClN3O2 — CID 10091882

IUPAC4-[4-(4-chlorophenyl)-2-(3,4-dimethoxyphenyl)-1H-imidazol-5-yl]pyridine
SMILESCOc1ccc(-c2nc(-c3ccc(Cl)cc3)c(-c3ccncc3)[nH]2)cc1OC
InChIInChI=1S/C22H18ClN3O2/c1-27-18-8-5-16(13-19(18)28-2)22-25-20(14-3-6-17(23)7-4-14)21(26-22)15-9-11-24-12-10-15/h3-13H,1-2H3,(H,25,26)
InChIKeyVRLSJSRKZREEQF-UHFFFAOYSA-N
MW391.86 g/mol
LogP5.48
Rot. Bonds5

About 4-[4-(4-chlorophenyl)-2-(3,4-dimethoxyphenyl)-1H-imidazol-5-yl]pyridine

4-[4-(4-chlorophenyl)-2-(3,4-dimethoxyphenyl)-1H-imidazol-5-yl]pyridine (PubChem CID 10091882) has the molecular formula C22H18ClN3O2 and a molecular weight of 391.86 g/mol. Its IUPAC name is 4-[4-(4-chlorophenyl)-2-(3,4-dimethoxyphenyl)-1H-imidazol-5-yl]pyridine.

Molecular Properties

Compound Name4-[4-(4-chlorophenyl)-2-(3,4-dimethoxyphenyl)-1H-imidazol-5-yl]pyridine
PubChem CID10091882
Molecular FormulaC22H18ClN3O2
Molecular Weight391.86 g/mol
Exact Mass391.11
IUPAC Name4-[4-(4-chlorophenyl)-2-(3,4-dimethoxyphenyl)-1H-imidazol-5-yl]pyridine
SMILESCOc1ccc(-c2nc(-c3ccc(Cl)cc3)c(-c3ccncc3)[nH]2)cc1OC
InChIInChI=1S/C22H18ClN3O2/c1-27-18-8-5-16(13-19(18)28-2)22-25-20(14-3-6-17(23)7-4-14)21(26-22)15-9-11-24-12-10-15/h3-13H,1-2H3,(H,25,26)
InChIKeyVRLSJSRKZREEQF-UHFFFAOYSA-N
XLogP5.48
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.86
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[4-(4-chlorophenyl)-2-(3,4-dimethoxyphenyl)-1H-imidazol-5-yl]pyridine 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 4-[4-(4-chlorophenyl)-2-(3,4-dimethoxyphenyl)-1H-imidazol-5-yl]pyridine?
The IUPAC name of 4-[4-(4-chlorophenyl)-2-(3,4-dimethoxyphenyl)-1H-imidazol-5-yl]pyridine (CID 10091882) is 4-[4-(4-chlorophenyl)-2-(3,4-dimethoxyphenyl)-1H-imidazol-5-yl]pyridine.
What is the SMILES notation for 4-[4-(4-chlorophenyl)-2-(3,4-dimethoxyphenyl)-1H-imidazol-5-yl]pyridine?
The canonical SMILES for 4-[4-(4-chlorophenyl)-2-(3,4-dimethoxyphenyl)-1H-imidazol-5-yl]pyridine is COc1ccc(-c2nc(-c3ccc(Cl)cc3)c(-c3ccncc3)[nH]2)cc1OC.
What is the InChIKey of 4-[4-(4-chlorophenyl)-2-(3,4-dimethoxyphenyl)-1H-imidazol-5-yl]pyridine?
The InChIKey is VRLSJSRKZREEQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN3O2/c1-27-18-8-5-16(13-19(18)28-2)22-25-20(14-3-6-17(23)7-4-14)21(26-22)15-9-11-24-12-10-15/h3-13H,1-2H3,(H,25,26).
What are the key properties of 4-[4-(4-chlorophenyl)-2-(3,4-dimethoxyphenyl)-1H-imidazol-5-yl]pyridine?
4-[4-(4-chlorophenyl)-2-(3,4-dimethoxyphenyl)-1H-imidazol-5-yl]pyridine has a molecular weight of 391.86 g/mol, XLogP of 5.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-chlorophenyl)-2-(3,4-dimethoxyphenyl)-1H-imidazol-5-yl]pyridine is sourced from PubChem (CID 10091882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).