5-[3-[3-(4-phenylphenyl)propoxy]propyl]-1H-imidazole

C21H24N2O — CID 10591811

IUPAC5-[3-[3-(4-phenylphenyl)propoxy]propyl]-1H-imidazole
SMILESc1ccc(-c2ccc(CCCOCCCc3cnc[nH]3)cc2)cc1
InChIInChI=1S/C21H24N2O/c1-2-7-19(8-3-1)20-12-10-18(11-13-20)6-4-14-24-15-5-9-21-16-22-17-23-21/h1-3,7-8,10-13,16-17H,4-6,9,14-15H2,(H,22,23)
InChIKeyCSHFHSIPMYFXHR-UHFFFAOYSA-N
MW320.44 g/mol
LogP4.66
Rot. Bonds9

About 5-[3-[3-(4-phenylphenyl)propoxy]propyl]-1H-imidazole

5-[3-[3-(4-phenylphenyl)propoxy]propyl]-1H-imidazole (PubChem CID 10591811) has the molecular formula C21H24N2O and a molecular weight of 320.44 g/mol. Its IUPAC name is 5-[3-[3-(4-phenylphenyl)propoxy]propyl]-1H-imidazole.

Molecular Properties

Compound Name5-[3-[3-(4-phenylphenyl)propoxy]propyl]-1H-imidazole
PubChem CID10591811
Molecular FormulaC21H24N2O
Molecular Weight320.44 g/mol
Exact Mass320.19
IUPAC Name5-[3-[3-(4-phenylphenyl)propoxy]propyl]-1H-imidazole
SMILESc1ccc(-c2ccc(CCCOCCCc3cnc[nH]3)cc2)cc1
InChIInChI=1S/C21H24N2O/c1-2-7-19(8-3-1)20-12-10-18(11-13-20)6-4-14-24-15-5-9-21-16-22-17-23-21/h1-3,7-8,10-13,16-17H,4-6,9,14-15H2,(H,22,23)
InChIKeyCSHFHSIPMYFXHR-UHFFFAOYSA-N
XLogP4.66
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-[3-[3-(4-phenylphenyl)propoxy]propyl]-1H-imidazole 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 5-[3-[3-(4-phenylphenyl)propoxy]propyl]-1H-imidazole?
The IUPAC name of 5-[3-[3-(4-phenylphenyl)propoxy]propyl]-1H-imidazole (CID 10591811) is 5-[3-[3-(4-phenylphenyl)propoxy]propyl]-1H-imidazole.
What is the SMILES notation for 5-[3-[3-(4-phenylphenyl)propoxy]propyl]-1H-imidazole?
The canonical SMILES for 5-[3-[3-(4-phenylphenyl)propoxy]propyl]-1H-imidazole is c1ccc(-c2ccc(CCCOCCCc3cnc[nH]3)cc2)cc1.
What is the InChIKey of 5-[3-[3-(4-phenylphenyl)propoxy]propyl]-1H-imidazole?
The InChIKey is CSHFHSIPMYFXHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O/c1-2-7-19(8-3-1)20-12-10-18(11-13-20)6-4-14-24-15-5-9-21-16-22-17-23-21/h1-3,7-8,10-13,16-17H,4-6,9,14-15H2,(H,22,23).
What are the key properties of 5-[3-[3-(4-phenylphenyl)propoxy]propyl]-1H-imidazole?
5-[3-[3-(4-phenylphenyl)propoxy]propyl]-1H-imidazole has a molecular weight of 320.44 g/mol, XLogP of 4.66, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[3-(4-phenylphenyl)propoxy]propyl]-1H-imidazole is sourced from PubChem (CID 10591811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).