4-[5-(4-iodophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-phenoxypyrimidine

C24H22IN5O — CID 155352364

IUPAC4-[5-(4-iodophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-phenoxypyrimidine
SMILESIc1ccc(-c2ncn(C3CCNCC3)c2-c2ccnc(Oc3ccccc3)n2)cc1
InChIInChI=1S/C24H22IN5O/c25-18-8-6-17(7-9-18)22-23(30(16-28-22)19-10-13-26-14-11-19)21-12-15-27-24(29-21)31-20-4-2-1-3-5-20/h1-9,12,15-16,19,26H,10-11,13-14H2
InChIKeyFUKOBVLXZVSQKU-UHFFFAOYSA-N
MW523.38 g/mol
LogP5.33
Rot. Bonds5

About 4-[5-(4-iodophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-phenoxypyrimidine

4-[5-(4-iodophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-phenoxypyrimidine (PubChem CID 155352364) has the molecular formula C24H22IN5O and a molecular weight of 523.38 g/mol. Its IUPAC name is 4-[5-(4-iodophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-phenoxypyrimidine.

Molecular Properties

Compound Name4-[5-(4-iodophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-phenoxypyrimidine
PubChem CID155352364
Molecular FormulaC24H22IN5O
Molecular Weight523.38 g/mol
Exact Mass523.09
IUPAC Name4-[5-(4-iodophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-phenoxypyrimidine
SMILESIc1ccc(-c2ncn(C3CCNCC3)c2-c2ccnc(Oc3ccccc3)n2)cc1
InChIInChI=1S/C24H22IN5O/c25-18-8-6-17(7-9-18)22-23(30(16-28-22)19-10-13-26-14-11-19)21-12-15-27-24(29-21)31-20-4-2-1-3-5-20/h1-9,12,15-16,19,26H,10-11,13-14H2
InChIKeyFUKOBVLXZVSQKU-UHFFFAOYSA-N
XLogP5.33
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.38
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-[5-(4-iodophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-phenoxypyrimidine 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-[5-(4-iodophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-phenoxypyrimidine?
The IUPAC name of 4-[5-(4-iodophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-phenoxypyrimidine (CID 155352364) is 4-[5-(4-iodophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-phenoxypyrimidine.
What is the SMILES notation for 4-[5-(4-iodophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-phenoxypyrimidine?
The canonical SMILES for 4-[5-(4-iodophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-phenoxypyrimidine is Ic1ccc(-c2ncn(C3CCNCC3)c2-c2ccnc(Oc3ccccc3)n2)cc1.
What is the InChIKey of 4-[5-(4-iodophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-phenoxypyrimidine?
The InChIKey is FUKOBVLXZVSQKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22IN5O/c25-18-8-6-17(7-9-18)22-23(30(16-28-22)19-10-13-26-14-11-19)21-12-15-27-24(29-21)31-20-4-2-1-3-5-20/h1-9,12,15-16,19,26H,10-11,13-14H2.
What are the key properties of 4-[5-(4-iodophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-phenoxypyrimidine?
4-[5-(4-iodophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-phenoxypyrimidine has a molecular weight of 523.38 g/mol, XLogP of 5.33, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-iodophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-phenoxypyrimidine is sourced from PubChem (CID 155352364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).