2-(2-trityl-1H-imidazol-5-yl)phenol

C28H22N2O — CID 67205769

IUPAC2-(2-trityl-1H-imidazol-5-yl)phenol
SMILESOc1ccccc1-c1cnc(C(c2ccccc2)(c2ccccc2)c2ccccc2)[nH]1
InChIInChI=1S/C28H22N2O/c31-26-19-11-10-18-24(26)25-20-29-27(30-25)28(21-12-4-1-5-13-21,22-14-6-2-7-15-22)23-16-8-3-9-17-23/h1-20,31H,(H,29,30)
InChIKeyVVBBXYZHSNYDMX-UHFFFAOYSA-N
MW402.50 g/mol
LogP6.16
Rot. Bonds5

About 2-(2-trityl-1H-imidazol-5-yl)phenol

2-(2-trityl-1H-imidazol-5-yl)phenol (PubChem CID 67205769) has the molecular formula C28H22N2O and a molecular weight of 402.50 g/mol. Its IUPAC name is 2-(2-trityl-1H-imidazol-5-yl)phenol.

Molecular Properties

Compound Name2-(2-trityl-1H-imidazol-5-yl)phenol
PubChem CID67205769
Molecular FormulaC28H22N2O
Molecular Weight402.50 g/mol
Exact Mass402.17
IUPAC Name2-(2-trityl-1H-imidazol-5-yl)phenol
SMILESOc1ccccc1-c1cnc(C(c2ccccc2)(c2ccccc2)c2ccccc2)[nH]1
InChIInChI=1S/C28H22N2O/c31-26-19-11-10-18-24(26)25-20-29-27(30-25)28(21-12-4-1-5-13-21,22-14-6-2-7-15-22)23-16-8-3-9-17-23/h1-20,31H,(H,29,30)
InChIKeyVVBBXYZHSNYDMX-UHFFFAOYSA-N
XLogP6.16
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.50
LogP ≤ 56.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-trityl-1H-imidazol-5-yl)phenol?
The IUPAC name of 2-(2-trityl-1H-imidazol-5-yl)phenol (CID 67205769) is 2-(2-trityl-1H-imidazol-5-yl)phenol.
What is the SMILES notation for 2-(2-trityl-1H-imidazol-5-yl)phenol?
The canonical SMILES for 2-(2-trityl-1H-imidazol-5-yl)phenol is Oc1ccccc1-c1cnc(C(c2ccccc2)(c2ccccc2)c2ccccc2)[nH]1.
What is the InChIKey of 2-(2-trityl-1H-imidazol-5-yl)phenol?
The InChIKey is VVBBXYZHSNYDMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22N2O/c31-26-19-11-10-18-24(26)25-20-29-27(30-25)28(21-12-4-1-5-13-21,22-14-6-2-7-15-22)23-16-8-3-9-17-23/h1-20,31H,(H,29,30).
What are the key properties of 2-(2-trityl-1H-imidazol-5-yl)phenol?
2-(2-trityl-1H-imidazol-5-yl)phenol has a molecular weight of 402.50 g/mol, XLogP of 6.16, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-trityl-1H-imidazol-5-yl)phenol is sourced from PubChem (CID 67205769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).