4-[3-(1-benzyl-2-phenylimidazol-4-yl)-1-hydroxypyrazol-4-yl]piperidine

C24H25N5O — CID 71818168

IUPAC4-[3-(1-benzyl-2-phenylimidazol-4-yl)-1-hydroxypyrazol-4-yl]piperidine
SMILESOn1cc(C2CCNCC2)c(-c2cn(Cc3ccccc3)c(-c3ccccc3)n2)n1
InChIInChI=1S/C24H25N5O/c30-29-16-21(19-11-13-25-14-12-19)23(27-29)22-17-28(15-18-7-3-1-4-8-18)24(26-22)20-9-5-2-6-10-20/h1-10,16-17,19,25,30H,11-15H2
InChIKeyWKMUEHICTZESCZ-UHFFFAOYSA-N
MW399.50 g/mol
LogP4.17
Rot. Bonds5

About 4-[3-(1-benzyl-2-phenylimidazol-4-yl)-1-hydroxypyrazol-4-yl]piperidine

4-[3-(1-benzyl-2-phenylimidazol-4-yl)-1-hydroxypyrazol-4-yl]piperidine (PubChem CID 71818168) has the molecular formula C24H25N5O and a molecular weight of 399.50 g/mol. Its IUPAC name is 4-[3-(1-benzyl-2-phenylimidazol-4-yl)-1-hydroxypyrazol-4-yl]piperidine.

Molecular Properties

Compound Name4-[3-(1-benzyl-2-phenylimidazol-4-yl)-1-hydroxypyrazol-4-yl]piperidine
PubChem CID71818168
Molecular FormulaC24H25N5O
Molecular Weight399.50 g/mol
Exact Mass399.21
IUPAC Name4-[3-(1-benzyl-2-phenylimidazol-4-yl)-1-hydroxypyrazol-4-yl]piperidine
SMILESOn1cc(C2CCNCC2)c(-c2cn(Cc3ccccc3)c(-c3ccccc3)n2)n1
InChIInChI=1S/C24H25N5O/c30-29-16-21(19-11-13-25-14-12-19)23(27-29)22-17-28(15-18-7-3-1-4-8-18)24(26-22)20-9-5-2-6-10-20/h1-10,16-17,19,25,30H,11-15H2
InChIKeyWKMUEHICTZESCZ-UHFFFAOYSA-N
XLogP4.17
TPSA67.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(1-benzyl-2-phenylimidazol-4-yl)-1-hydroxypyrazol-4-yl]piperidine?
The IUPAC name of 4-[3-(1-benzyl-2-phenylimidazol-4-yl)-1-hydroxypyrazol-4-yl]piperidine (CID 71818168) is 4-[3-(1-benzyl-2-phenylimidazol-4-yl)-1-hydroxypyrazol-4-yl]piperidine.
What is the SMILES notation for 4-[3-(1-benzyl-2-phenylimidazol-4-yl)-1-hydroxypyrazol-4-yl]piperidine?
The canonical SMILES for 4-[3-(1-benzyl-2-phenylimidazol-4-yl)-1-hydroxypyrazol-4-yl]piperidine is On1cc(C2CCNCC2)c(-c2cn(Cc3ccccc3)c(-c3ccccc3)n2)n1.
What is the InChIKey of 4-[3-(1-benzyl-2-phenylimidazol-4-yl)-1-hydroxypyrazol-4-yl]piperidine?
The InChIKey is WKMUEHICTZESCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O/c30-29-16-21(19-11-13-25-14-12-19)23(27-29)22-17-28(15-18-7-3-1-4-8-18)24(26-22)20-9-5-2-6-10-20/h1-10,16-17,19,25,30H,11-15H2.
What are the key properties of 4-[3-(1-benzyl-2-phenylimidazol-4-yl)-1-hydroxypyrazol-4-yl]piperidine?
4-[3-(1-benzyl-2-phenylimidazol-4-yl)-1-hydroxypyrazol-4-yl]piperidine has a molecular weight of 399.50 g/mol, XLogP of 4.17, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1-benzyl-2-phenylimidazol-4-yl)-1-hydroxypyrazol-4-yl]piperidine is sourced from PubChem (CID 71818168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).