5-[3-(naphthalen-2-ylmethoxy)propyl]-4-phenyl-1H-imidazole

C23H22N2O — CID 59099590

IUPAC5-[3-(naphthalen-2-ylmethoxy)propyl]-4-phenyl-1H-imidazole
SMILESc1ccc(-c2nc[nH]c2CCCOCc2ccc3ccccc3c2)cc1
InChIInChI=1S/C23H22N2O/c1-2-8-20(9-3-1)23-22(24-17-25-23)11-6-14-26-16-18-12-13-19-7-4-5-10-21(19)15-18/h1-5,7-10,12-13,15,17H,6,11,14,16H2,(H,24,25)
InChIKeyOJZNSPXPROUBQI-UHFFFAOYSA-N
MW342.44 g/mol
LogP5.38
Rot. Bonds7

About 5-[3-(naphthalen-2-ylmethoxy)propyl]-4-phenyl-1H-imidazole

5-[3-(naphthalen-2-ylmethoxy)propyl]-4-phenyl-1H-imidazole (PubChem CID 59099590) has the molecular formula C23H22N2O and a molecular weight of 342.44 g/mol. Its IUPAC name is 5-[3-(naphthalen-2-ylmethoxy)propyl]-4-phenyl-1H-imidazole.

Molecular Properties

Compound Name5-[3-(naphthalen-2-ylmethoxy)propyl]-4-phenyl-1H-imidazole
PubChem CID59099590
Molecular FormulaC23H22N2O
Molecular Weight342.44 g/mol
Exact Mass342.17
IUPAC Name5-[3-(naphthalen-2-ylmethoxy)propyl]-4-phenyl-1H-imidazole
SMILESc1ccc(-c2nc[nH]c2CCCOCc2ccc3ccccc3c2)cc1
InChIInChI=1S/C23H22N2O/c1-2-8-20(9-3-1)23-22(24-17-25-23)11-6-14-26-16-18-12-13-19-7-4-5-10-21(19)15-18/h1-5,7-10,12-13,15,17H,6,11,14,16H2,(H,24,25)
InChIKeyOJZNSPXPROUBQI-UHFFFAOYSA-N
XLogP5.38
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.44
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(naphthalen-2-ylmethoxy)propyl]-4-phenyl-1H-imidazole?
The IUPAC name of 5-[3-(naphthalen-2-ylmethoxy)propyl]-4-phenyl-1H-imidazole (CID 59099590) is 5-[3-(naphthalen-2-ylmethoxy)propyl]-4-phenyl-1H-imidazole.
What is the SMILES notation for 5-[3-(naphthalen-2-ylmethoxy)propyl]-4-phenyl-1H-imidazole?
The canonical SMILES for 5-[3-(naphthalen-2-ylmethoxy)propyl]-4-phenyl-1H-imidazole is c1ccc(-c2nc[nH]c2CCCOCc2ccc3ccccc3c2)cc1.
What is the InChIKey of 5-[3-(naphthalen-2-ylmethoxy)propyl]-4-phenyl-1H-imidazole?
The InChIKey is OJZNSPXPROUBQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O/c1-2-8-20(9-3-1)23-22(24-17-25-23)11-6-14-26-16-18-12-13-19-7-4-5-10-21(19)15-18/h1-5,7-10,12-13,15,17H,6,11,14,16H2,(H,24,25).
What are the key properties of 5-[3-(naphthalen-2-ylmethoxy)propyl]-4-phenyl-1H-imidazole?
5-[3-(naphthalen-2-ylmethoxy)propyl]-4-phenyl-1H-imidazole has a molecular weight of 342.44 g/mol, XLogP of 5.38, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(naphthalen-2-ylmethoxy)propyl]-4-phenyl-1H-imidazole is sourced from PubChem (CID 59099590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).