5-[3-[(3-iodophenyl)methoxy]propyl]-4-phenyl-1H-imidazole

C19H19IN2O — CID 59099612

IUPAC5-[3-[(3-iodophenyl)methoxy]propyl]-4-phenyl-1H-imidazole
SMILESIc1cccc(COCCCc2[nH]cnc2-c2ccccc2)c1
InChIInChI=1S/C19H19IN2O/c20-17-9-4-6-15(12-17)13-23-11-5-10-18-19(22-14-21-18)16-7-2-1-3-8-16/h1-4,6-9,12,14H,5,10-11,13H2,(H,21,22)
InChIKeyJAXZWBBYKBZYHQ-UHFFFAOYSA-N
MW418.28 g/mol
LogP4.83
Rot. Bonds7

About 5-[3-[(3-iodophenyl)methoxy]propyl]-4-phenyl-1H-imidazole

5-[3-[(3-iodophenyl)methoxy]propyl]-4-phenyl-1H-imidazole (PubChem CID 59099612) has the molecular formula C19H19IN2O and a molecular weight of 418.28 g/mol. Its IUPAC name is 5-[3-[(3-iodophenyl)methoxy]propyl]-4-phenyl-1H-imidazole.

Molecular Properties

Compound Name5-[3-[(3-iodophenyl)methoxy]propyl]-4-phenyl-1H-imidazole
PubChem CID59099612
Molecular FormulaC19H19IN2O
Molecular Weight418.28 g/mol
Exact Mass418.05
IUPAC Name5-[3-[(3-iodophenyl)methoxy]propyl]-4-phenyl-1H-imidazole
SMILESIc1cccc(COCCCc2[nH]cnc2-c2ccccc2)c1
InChIInChI=1S/C19H19IN2O/c20-17-9-4-6-15(12-17)13-23-11-5-10-18-19(22-14-21-18)16-7-2-1-3-8-16/h1-4,6-9,12,14H,5,10-11,13H2,(H,21,22)
InChIKeyJAXZWBBYKBZYHQ-UHFFFAOYSA-N
XLogP4.83
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.28
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-[3-[(3-iodophenyl)methoxy]propyl]-4-phenyl-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-iodophenyl)methoxy]propyl]-4-phenyl-1H-imidazole?
The IUPAC name of 5-[3-[(3-iodophenyl)methoxy]propyl]-4-phenyl-1H-imidazole (CID 59099612) is 5-[3-[(3-iodophenyl)methoxy]propyl]-4-phenyl-1H-imidazole.
What is the SMILES notation for 5-[3-[(3-iodophenyl)methoxy]propyl]-4-phenyl-1H-imidazole?
The canonical SMILES for 5-[3-[(3-iodophenyl)methoxy]propyl]-4-phenyl-1H-imidazole is Ic1cccc(COCCCc2[nH]cnc2-c2ccccc2)c1.
What is the InChIKey of 5-[3-[(3-iodophenyl)methoxy]propyl]-4-phenyl-1H-imidazole?
The InChIKey is JAXZWBBYKBZYHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19IN2O/c20-17-9-4-6-15(12-17)13-23-11-5-10-18-19(22-14-21-18)16-7-2-1-3-8-16/h1-4,6-9,12,14H,5,10-11,13H2,(H,21,22).
What are the key properties of 5-[3-[(3-iodophenyl)methoxy]propyl]-4-phenyl-1H-imidazole?
5-[3-[(3-iodophenyl)methoxy]propyl]-4-phenyl-1H-imidazole has a molecular weight of 418.28 g/mol, XLogP of 4.83, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[(3-iodophenyl)methoxy]propyl]-4-phenyl-1H-imidazole is sourced from PubChem (CID 59099612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).