4-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-2-(5-phenyl-1H-imidazol-2-yl)pyridine

C24H18ClN5 — CID 129315720

IUPAC4-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-2-(5-phenyl-1H-imidazol-2-yl)pyridine
SMILESClc1ccc(Cn2cc(-c3ccnc(-c4ncc(-c5ccccc5)[nH]4)c3)cn2)cc1
InChIInChI=1S/C24H18ClN5/c25-21-8-6-17(7-9-21)15-30-16-20(13-28-30)19-10-11-26-22(12-19)24-27-14-23(29-24)18-4-2-1-3-5-18/h1-14,16H,15H2,(H,27,29)
InChIKeyPKRKUSOJUONPPA-UHFFFAOYSA-N
MW411.90 g/mol
LogP5.70
Rot. Bonds5

About 4-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-2-(5-phenyl-1H-imidazol-2-yl)pyridine

4-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-2-(5-phenyl-1H-imidazol-2-yl)pyridine (PubChem CID 129315720) has the molecular formula C24H18ClN5 and a molecular weight of 411.90 g/mol. Its IUPAC name is 4-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-2-(5-phenyl-1H-imidazol-2-yl)pyridine.

Molecular Properties

Compound Name4-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-2-(5-phenyl-1H-imidazol-2-yl)pyridine
PubChem CID129315720
Molecular FormulaC24H18ClN5
Molecular Weight411.90 g/mol
Exact Mass411.13
IUPAC Name4-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-2-(5-phenyl-1H-imidazol-2-yl)pyridine
SMILESClc1ccc(Cn2cc(-c3ccnc(-c4ncc(-c5ccccc5)[nH]4)c3)cn2)cc1
InChIInChI=1S/C24H18ClN5/c25-21-8-6-17(7-9-21)15-30-16-20(13-28-30)19-10-11-26-22(12-19)24-27-14-23(29-24)18-4-2-1-3-5-18/h1-14,16H,15H2,(H,27,29)
InChIKeyPKRKUSOJUONPPA-UHFFFAOYSA-N
XLogP5.70
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.90
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-2-(5-phenyl-1H-imidazol-2-yl)pyridine?
The IUPAC name of 4-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-2-(5-phenyl-1H-imidazol-2-yl)pyridine (CID 129315720) is 4-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-2-(5-phenyl-1H-imidazol-2-yl)pyridine.
What is the SMILES notation for 4-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-2-(5-phenyl-1H-imidazol-2-yl)pyridine?
The canonical SMILES for 4-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-2-(5-phenyl-1H-imidazol-2-yl)pyridine is Clc1ccc(Cn2cc(-c3ccnc(-c4ncc(-c5ccccc5)[nH]4)c3)cn2)cc1.
What is the InChIKey of 4-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-2-(5-phenyl-1H-imidazol-2-yl)pyridine?
The InChIKey is PKRKUSOJUONPPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClN5/c25-21-8-6-17(7-9-21)15-30-16-20(13-28-30)19-10-11-26-22(12-19)24-27-14-23(29-24)18-4-2-1-3-5-18/h1-14,16H,15H2,(H,27,29).
What are the key properties of 4-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-2-(5-phenyl-1H-imidazol-2-yl)pyridine?
4-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-2-(5-phenyl-1H-imidazol-2-yl)pyridine has a molecular weight of 411.90 g/mol, XLogP of 5.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-2-(5-phenyl-1H-imidazol-2-yl)pyridine is sourced from PubChem (CID 129315720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).