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

C19H19IN2O — CID 59099639

IUPAC5-[3-[(4-iodophenyl)methoxy]propyl]-4-phenyl-1H-imidazole
SMILESIc1ccc(COCCCc2[nH]cnc2-c2ccccc2)cc1
InChIInChI=1S/C19H19IN2O/c20-17-10-8-15(9-11-17)13-23-12-4-7-18-19(22-14-21-18)16-5-2-1-3-6-16/h1-3,5-6,8-11,14H,4,7,12-13H2,(H,21,22)
InChIKeyQXNZZKFOVKCPKJ-UHFFFAOYSA-N
MW418.28 g/mol
LogP4.83
Rot. Bonds7

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

5-[3-[(4-iodophenyl)methoxy]propyl]-4-phenyl-1H-imidazole (PubChem CID 59099639) has the molecular formula C19H19IN2O and a molecular weight of 418.28 g/mol. Its IUPAC name is 5-[3-[(4-iodophenyl)methoxy]propyl]-4-phenyl-1H-imidazole.

Molecular Properties

Compound Name5-[3-[(4-iodophenyl)methoxy]propyl]-4-phenyl-1H-imidazole
PubChem CID59099639
Molecular FormulaC19H19IN2O
Molecular Weight418.28 g/mol
Exact Mass418.05
IUPAC Name5-[3-[(4-iodophenyl)methoxy]propyl]-4-phenyl-1H-imidazole
SMILESIc1ccc(COCCCc2[nH]cnc2-c2ccccc2)cc1
InChIInChI=1S/C19H19IN2O/c20-17-10-8-15(9-11-17)13-23-12-4-7-18-19(22-14-21-18)16-5-2-1-3-6-16/h1-3,5-6,8-11,14H,4,7,12-13H2,(H,21,22)
InChIKeyQXNZZKFOVKCPKJ-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'}

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[(4-iodophenyl)methoxy]propyl]-4-phenyl-1H-imidazole?
The IUPAC name of 5-[3-[(4-iodophenyl)methoxy]propyl]-4-phenyl-1H-imidazole (CID 59099639) is 5-[3-[(4-iodophenyl)methoxy]propyl]-4-phenyl-1H-imidazole.
What is the SMILES notation for 5-[3-[(4-iodophenyl)methoxy]propyl]-4-phenyl-1H-imidazole?
The canonical SMILES for 5-[3-[(4-iodophenyl)methoxy]propyl]-4-phenyl-1H-imidazole is Ic1ccc(COCCCc2[nH]cnc2-c2ccccc2)cc1.
What is the InChIKey of 5-[3-[(4-iodophenyl)methoxy]propyl]-4-phenyl-1H-imidazole?
The InChIKey is QXNZZKFOVKCPKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19IN2O/c20-17-10-8-15(9-11-17)13-23-12-4-7-18-19(22-14-21-18)16-5-2-1-3-6-16/h1-3,5-6,8-11,14H,4,7,12-13H2,(H,21,22).
What are the key properties of 5-[3-[(4-iodophenyl)methoxy]propyl]-4-phenyl-1H-imidazole?
5-[3-[(4-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-[(4-iodophenyl)methoxy]propyl]-4-phenyl-1H-imidazole is sourced from PubChem (CID 59099639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).