2-[4-(2-hydroxyphenyl)-2-octyl-1H-imidazol-5-yl]phenol

C23H28N2O2 — CID 134824295

IUPAC2-[4-(2-hydroxyphenyl)-2-octyl-1H-imidazol-5-yl]phenol
SMILESCCCCCCCCc1nc(-c2ccccc2O)c(-c2ccccc2O)[nH]1
InChIInChI=1S/C23H28N2O2/c1-2-3-4-5-6-7-16-21-24-22(17-12-8-10-14-19(17)26)23(25-21)18-13-9-11-15-20(18)27/h8-15,26-27H,2-7,16H2,1H3,(H,24,25)
InChIKeyQBZXXTXIMFLFNW-UHFFFAOYSA-N
MW364.49 g/mol
LogP6.06
Rot. Bonds9

About 2-[4-(2-hydroxyphenyl)-2-octyl-1H-imidazol-5-yl]phenol

2-[4-(2-hydroxyphenyl)-2-octyl-1H-imidazol-5-yl]phenol (PubChem CID 134824295) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 2-[4-(2-hydroxyphenyl)-2-octyl-1H-imidazol-5-yl]phenol.

Molecular Properties

Compound Name2-[4-(2-hydroxyphenyl)-2-octyl-1H-imidazol-5-yl]phenol
PubChem CID134824295
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Name2-[4-(2-hydroxyphenyl)-2-octyl-1H-imidazol-5-yl]phenol
SMILESCCCCCCCCc1nc(-c2ccccc2O)c(-c2ccccc2O)[nH]1
InChIInChI=1S/C23H28N2O2/c1-2-3-4-5-6-7-16-21-24-22(17-12-8-10-14-19(17)26)23(25-21)18-13-9-11-15-20(18)27/h8-15,26-27H,2-7,16H2,1H3,(H,24,25)
InChIKeyQBZXXTXIMFLFNW-UHFFFAOYSA-N
XLogP6.06
TPSA69.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.49
LogP ≤ 56.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-[4-(2-hydroxyphenyl)-2-octyl-1H-imidazol-5-yl]phenol?
The IUPAC name of 2-[4-(2-hydroxyphenyl)-2-octyl-1H-imidazol-5-yl]phenol (CID 134824295) is 2-[4-(2-hydroxyphenyl)-2-octyl-1H-imidazol-5-yl]phenol.
What is the SMILES notation for 2-[4-(2-hydroxyphenyl)-2-octyl-1H-imidazol-5-yl]phenol?
The canonical SMILES for 2-[4-(2-hydroxyphenyl)-2-octyl-1H-imidazol-5-yl]phenol is CCCCCCCCc1nc(-c2ccccc2O)c(-c2ccccc2O)[nH]1.
What is the InChIKey of 2-[4-(2-hydroxyphenyl)-2-octyl-1H-imidazol-5-yl]phenol?
The InChIKey is QBZXXTXIMFLFNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-2-3-4-5-6-7-16-21-24-22(17-12-8-10-14-19(17)26)23(25-21)18-13-9-11-15-20(18)27/h8-15,26-27H,2-7,16H2,1H3,(H,24,25).
What are the key properties of 2-[4-(2-hydroxyphenyl)-2-octyl-1H-imidazol-5-yl]phenol?
2-[4-(2-hydroxyphenyl)-2-octyl-1H-imidazol-5-yl]phenol has a molecular weight of 364.49 g/mol, XLogP of 6.06, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-hydroxyphenyl)-2-octyl-1H-imidazol-5-yl]phenol is sourced from PubChem (CID 134824295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).