2-[5-[2-(methoxymethyl)phenyl]pentyl]-5-naphthalen-2-yl-1H-imidazole

C26H28N2O — CID 155705148

IUPAC2-[5-[2-(methoxymethyl)phenyl]pentyl]-5-naphthalen-2-yl-1H-imidazole
SMILESCOCc1ccccc1CCCCCc1ncc(-c2ccc3ccccc3c2)[nH]1
InChIInChI=1S/C26H28N2O/c1-29-19-24-13-8-6-10-20(24)9-3-2-4-14-26-27-18-25(28-26)23-16-15-21-11-5-7-12-22(21)17-23/h5-8,10-13,15-18H,2-4,9,14,19H2,1H3,(H,27,28)
InChIKeyVSSYWJBCOOJSAV-UHFFFAOYSA-N
MW384.52 g/mol
LogP6.33
Rot. Bonds9

About 2-[5-[2-(methoxymethyl)phenyl]pentyl]-5-naphthalen-2-yl-1H-imidazole

2-[5-[2-(methoxymethyl)phenyl]pentyl]-5-naphthalen-2-yl-1H-imidazole (PubChem CID 155705148) has the molecular formula C26H28N2O and a molecular weight of 384.52 g/mol. Its IUPAC name is 2-[5-[2-(methoxymethyl)phenyl]pentyl]-5-naphthalen-2-yl-1H-imidazole.

Molecular Properties

Compound Name2-[5-[2-(methoxymethyl)phenyl]pentyl]-5-naphthalen-2-yl-1H-imidazole
PubChem CID155705148
Molecular FormulaC26H28N2O
Molecular Weight384.52 g/mol
Exact Mass384.22
IUPAC Name2-[5-[2-(methoxymethyl)phenyl]pentyl]-5-naphthalen-2-yl-1H-imidazole
SMILESCOCc1ccccc1CCCCCc1ncc(-c2ccc3ccccc3c2)[nH]1
InChIInChI=1S/C26H28N2O/c1-29-19-24-13-8-6-10-20(24)9-3-2-4-14-26-27-18-25(28-26)23-16-15-21-11-5-7-12-22(21)17-23/h5-8,10-13,15-18H,2-4,9,14,19H2,1H3,(H,27,28)
InChIKeyVSSYWJBCOOJSAV-UHFFFAOYSA-N
XLogP6.33
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.52
LogP ≤ 56.33
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 2-[5-[2-(methoxymethyl)phenyl]pentyl]-5-naphthalen-2-yl-1H-imidazole?
The IUPAC name of 2-[5-[2-(methoxymethyl)phenyl]pentyl]-5-naphthalen-2-yl-1H-imidazole (CID 155705148) is 2-[5-[2-(methoxymethyl)phenyl]pentyl]-5-naphthalen-2-yl-1H-imidazole.
What is the SMILES notation for 2-[5-[2-(methoxymethyl)phenyl]pentyl]-5-naphthalen-2-yl-1H-imidazole?
The canonical SMILES for 2-[5-[2-(methoxymethyl)phenyl]pentyl]-5-naphthalen-2-yl-1H-imidazole is COCc1ccccc1CCCCCc1ncc(-c2ccc3ccccc3c2)[nH]1.
What is the InChIKey of 2-[5-[2-(methoxymethyl)phenyl]pentyl]-5-naphthalen-2-yl-1H-imidazole?
The InChIKey is VSSYWJBCOOJSAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O/c1-29-19-24-13-8-6-10-20(24)9-3-2-4-14-26-27-18-25(28-26)23-16-15-21-11-5-7-12-22(21)17-23/h5-8,10-13,15-18H,2-4,9,14,19H2,1H3,(H,27,28).
What are the key properties of 2-[5-[2-(methoxymethyl)phenyl]pentyl]-5-naphthalen-2-yl-1H-imidazole?
2-[5-[2-(methoxymethyl)phenyl]pentyl]-5-naphthalen-2-yl-1H-imidazole has a molecular weight of 384.52 g/mol, XLogP of 6.33, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-(methoxymethyl)phenyl]pentyl]-5-naphthalen-2-yl-1H-imidazole is sourced from PubChem (CID 155705148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).